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16381-47-8 | 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-
CAS No: 16381-47-8 Catalog No: AG001UET MDL No:MFCD05864560
Product Description
Catalog Number:
AG001UET
Chemical Name:
1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-
CAS Number:
16381-47-8
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD05864560
IUPAC Name:
5-chloro-3-methyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H8ClNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChI Key:
LSDWHXDEMCMQHP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(C)c([nH]2)C(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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