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16732-64-2 | 1H-Indole-2-carboxylic acid, 4-bromo-
CAS No: 16732-64-2 Catalog No: AG001XAV MDL No:MFCD02664468
Product Description
Catalog Number:
AG001XAV
Chemical Name:
1H-Indole-2-carboxylic acid, 4-bromo-
CAS Number:
16732-64-2
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD02664468
IUPAC Name:
4-bromo-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H6BrNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChI Key:
SXFVRIRMDXONCT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)cccc2Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/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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