CAS
937669-19-7 Purity
96%
937669-19-7 Purity
96%
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Methyl 5-bromo-2-(isobutylamino)benzoate
CAS
937678-69-8
Catalog Number
ACM937678698
Category
Other Products
Molecular Weight
286.164940 [g/mol]
Molecular Formula
C12H16BrNO2
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Specification
Synonyms
methyl 5-bromo-2-(isobutylamino)benzoate, 937678-69-8, AGN-PC-026DPI, CTK8E2516, SBB067790, ZINC33494756, AKOS002668430, AK133827, KB-145642, FT-0659113, methyl 5-bromo-2-(2-methylpropylamino)benzoate, A844703, methyl 5-bromanyl-2-(2-methylpropylamino)benzoate, I14-5157, 5-bromo-2-(2-methylpropylamino)benzoic acid methyl ester
IUPAC Name
methyl 5-bromo-2-(2-methylpropylamino)benzoate
Canonical SMILES
CC(C)CNC1=C(C=C(C=C1)Br)C(=O)OC
InChI Key
UDVQKXNCRGDQBT-UHFFFAOYSA-N
Boiling Point
338.369ºC at 760 mmHg
Flash Point
158.44ºC
Density
1.344g/cm³
Exact Mass
285.03600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of methyl 5-bromo-2-(isobutylamino)benzoate?
The molecular formula is C12H16BrNO2.
What is the molecular weight of methyl 5-bromo-2-(isobutylamino)benzoate?
The molecular weight is 286.16 g/mol.
What is the IUPAC name of methyl 5-bromo-2-(isobutylamino)benzoate?
The IUPAC name is methyl 5-bromo-2-(2-methylpropylamino)benzoate.
What is the InChIKey of methyl 5-bromo-2-(isobutylamino)benzoate?
The InChIKey is UDVQKXNCRGDQBT-UHFFFAOYSA-N.
What is the Canonical SMILES of methyl 5-bromo-2-(isobutylamino)benzoate?
The Canonical SMILES is CC(C)CNC1=C(C=C(C=C1)Br)C(=O)OC.
How many hydrogen bond donor counts does methyl 5-bromo-2-(isobutylamino)benzoate have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of methyl 5-bromo-2-(isobutylamino)benzoate?
The topological polar surface area is 38.3 Ų.
How many rotatable bond counts does methyl 5-bromo-2-(isobutylamino)benzoate have?
It has 5 rotatable bond counts.
Is methyl 5-bromo-2-(isobutylamino)benzoate considered a canonicalized compound?
Yes, it is a canonicalized compound.
When was methyl 5-bromo-2-(isobutylamino)benzoate first created and last modified in PubChem?
It was first created on 2007-12-04 and last modified on 2023-12-30.
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