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Home > Bromides > 1021859-29-9
1021859-29-9 | 1H-Indazole-3-carboxylic acid, 6-bromo-1-methyl-
CAS No: 1021859-29-9 Catalog No: AG0006TT MDL No:MFCD15071436
Product Description
Catalog Number:
AG0006TT
Chemical Name:
1H-Indazole-3-carboxylic acid, 6-bromo-1-methyl-
CAS Number:
1021859-29-9
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD15071436
IUPAC Name:
6-bromo-1-methylindazole-3-carboxylic acid
InChI:
InChI=1S/C9H7BrN2O2/c1-12-7-4-5(10)2-3-6(7)8(11-12)9(13)14/h2-4H,1H3,(H,13,14)
InChI Key:
OPJAPPYKVWTEQM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n(C)nc2C(=O)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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