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Home > Bromides > 1227270-80-5
1227270-80-5 | 1H-Indazole-6-carboxylic acid, 3-bromo-5-methyl-
CAS No: 1227270-80-5 Catalog No: AG000J71 MDL No:
Product Description
Catalog Number:
AG000J71
Chemical Name:
1H-Indazole-6-carboxylic acid, 3-bromo-5-methyl-
CAS Number:
1227270-80-5
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
IUPAC Name:
3-bromo-5-methyl-2H-indazole-6-carboxylic acid
InChI:
InChI=1S/C9H7BrN2O2/c1-4-2-6-7(11-12-8(6)10)3-5(4)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChI Key:
NJWQRDALYCBYIA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2[nH]nc(c2cc1C)Br
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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