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Home > Bromides > 1134328-13-4
1134328-13-4 | 1H-Indazole-3-carboxylic acid, 5-bromo-6-methoxy-
CAS No: 1134328-13-4 Catalog No: AG0008KF MDL No:MFCD11858406
Product Description
Catalog Number:
AG0008KF
Chemical Name:
1H-Indazole-3-carboxylic acid, 5-bromo-6-methoxy-
CAS Number:
1134328-13-4
Molecular Formula:
C9H7BrN2O3
Molecular Weight:
271.0675
MDL Number:
MFCD11858406
IUPAC Name:
5-bromo-6-methoxy-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C9H7BrN2O3/c1-15-7-3-6-4(2-5(7)10)8(9(13)14)12-11-6/h2-3H,1H3,(H,11,12)(H,13,14)
InChI Key:
NVYCZOPCDLFQNX-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]nc(c2cc1Br)C(=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.07g/mol
Monoisotopic Mass:
269.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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