CAS
952182-55-7 Purity
96%
952182-55-7 Purity
96%
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7-Bromo-4-methyl-5-nitro-1H-indazole
CAS
952183-46-9
Catalog Number
ACM952183469
Category
Other Products
Molecular Weight
256.056140 [g/mol]
Molecular Formula
C8H6BrN3O2
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Specification
Synonyms
7-bromo-4-methyl-5-nitro-1H-indazole, 952183-46-9, CTK5I2349, MolPort-009-194-413, SBB101666, ZINC12336537, AKOS005072049, AG-A-91470, CB-0855, MCULE-6891243308, RP14522, KB-249593
IUPAC Name
7-bromo-4-methyl-5-nitro-1H-indazole
Canonical SMILES
CC1=C2C=NNC2=C(C=C1[N+](=O)[O-])Br
InChI Key
BTXHZXXRESXPMC-UHFFFAOYSA-N
Exact Mass
254.96400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound 7-Bromo-4-methyl-5-nitro-1H-indazole?
The molecular formula of 7-Bromo-4-methyl-5-nitro-1H-indazole is C8H6BrN3O2.
When was the compound first created?
The compound was first created on February 29, 2008.
What is the molecular weight of 7-Bromo-4-methyl-5-nitro-1H-indazole?
The molecular weight of 7-Bromo-4-methyl-5-nitro-1H-indazole is 256.06 g/mol.
What is the InChI of 7-Bromo-4-methyl-5-nitro-1H-indazole?
The InChI of 7-Bromo-4-methyl-5-nitro-1H-indazole is InChI=1S/C8H6BrN3O2/c1-4-5-3-10-11-8(5)6(9)2-7(4)12(13)14/h2-3H,1H3,(H,10,11).
What is the Canonical SMILES representation of the compound?
The Canonical SMILES of 7-Bromo-4-methyl-5-nitro-1H-indazole is CC1=C2C=NNC2=C(C=C1[N+](=O)[O-])Br.
What is the XLogP3-AA value for the compound?
The XLogP3-AA value for 7-Bromo-4-methyl-5-nitro-1H-indazole is 2.4.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count in 7-Bromo-4-methyl-5-nitro-1H-indazole.
What is the formal charge of the compound?
The formal charge of 7-Bromo-4-methyl-5-nitro-1H-indazole is 0.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity value of the compound?
The complexity value of 7-Bromo-4-methyl-5-nitro-1H-indazole is 245.
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