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Home > Bromides > 1167055-60-8
1167055-60-8 | 1H-Indole-6-carboxylic acid, 4-bromo-7-methyl-
CAS No: 1167055-60-8 Catalog No: AG000D0T MDL No:
Product Description
Catalog Number:
AG000D0T
Chemical Name:
1H-Indole-6-carboxylic acid, 4-bromo-7-methyl-
CAS Number:
1167055-60-8
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
IUPAC Name:
4-bromo-7-methyl-1H-indole-6-carboxylic acid
InChI:
InChI=1S/C10H8BrNO2/c1-5-7(10(13)14)4-8(11)6-2-3-12-9(5)6/h2-4,12H,1H3,(H,13,14)
InChI Key:
MUIZJQQMAUFRNL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c2c(c1C)[nH]cc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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