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Home > Bromides > 1227267-28-8
1227267-28-8 | 1H-Indole-6-carboxylic acid, 5-bromo-, methyl ester
CAS No: 1227267-28-8 Catalog No: AG000J2V MDL No:MFCD11976066
Product Description
Catalog Number:
AG000J2V
Chemical Name:
1H-Indole-6-carboxylic acid, 5-bromo-, methyl ester
CAS Number:
1227267-28-8
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD11976066
IUPAC Name:
methyl 5-bromo-1H-indole-6-carboxylate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)7-5-9-6(2-3-12-9)4-8(7)11/h2-5,12H,1H3
InChI Key:
IIOVQDYEEGSQRC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]ccc2cc1Br
Properties
Complexity:
234
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:
1
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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