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89923-46-6 Purity
96%
89923-46-6 Purity
96%
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Disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulfonate
CAS
89923-51-3
Catalog Number
ACM89923513
Category
Other Products
Molecular Weight
723.279340 [g/mol]
Molecular Formula
C20H15Br2N5Na2O8S2
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Specification
Synonyms
EINECS 289-542-9, CID11971068, 89923-51-3, Disodium 7-((2-((aminocarbonyl)amino)-4-((2,3-dibromo-1-oxopropyl)amino)phenyl)azo)naphthalene-1,3-disulphonate
IUPAC Name
disodium 7-[[2-(carbamoylamino)-4-(2,3-dibromopropanoylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate
Canonical SMILES
C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)NC(=O)C(CBr)Br)NC(=O)N.[Na+].[Na+]
InChI Key
TTXZUJSNYRJQLZ-UHFFFAOYSA-L
EC Number
289-542-9
Exact Mass
720.85200
H-Bond Acceptor
10
H-Bond Donor
3
What is the molecular formula of disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulfonate?
The molecular formula is C20H15Br2N5Na2O8S2.
When was disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulfonate created and modified?
It was created on December 27, 2006, and last modified on December 30, 2023.
What is the IUPAC name of disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulfonate?
The IUPAC name is disodium;7-[[2-(carbamoylamino)-4-(2,3-dibromopropanoylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate.
What is the InChIKey of disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulfonate?
The InChIKey is TTXZUJSNYRJQLZ-UHFFFAOYSA-L.
How many hydrogen bond donor counts does disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulfonate have?
It has 3 hydrogen bond donor counts.
What is the exact mass of disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulfonate?
The exact mass is 722.85037 g/mol.
How many rotatable bond counts does disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulfonate have?
It has 6 rotatable bond counts.
What is the topological polar surface area of disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulfonate?
The topological polar surface area is 240 Ų.
How many heavy atoms does disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulfonate have?
It has 39 heavy atoms.
Is the compound is canonicalized?
Yes, the compound is canonicalized.
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