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Home > Bromides > 1857357-32-4
1857357-32-4 | 4-bromo-5-methyl-1H-indole-2-carboxylic acid
CAS No: 1857357-32-4 Catalog No: AG01ELD2 MDL No:MFCD31381022
Product Description
Catalog Number:
AG01ELD2
Chemical Name:
4-bromo-5-methyl-1H-indole-2-carboxylic acid
CAS Number:
1857357-32-4
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD31381022
IUPAC Name:
4-bromo-5-methyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H8BrNO2/c1-5-2-3-7-6(9(5)11)4-8(12-7)10(13)14/h2-4,12H,1H3,(H,13,14)
InChI Key:
SELHPNHZNPHXNL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ccc(c2Br)C
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:
3
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