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251107-41-2 | 1H-Indole-5-carboxylic acid, 4-chloro-
CAS No: 251107-41-2 Catalog No: AG002QJ1 MDL No:MFCD20645612
Product Description
Catalog Number:
AG002QJ1
Chemical Name:
1H-Indole-5-carboxylic acid, 4-chloro-
CAS Number:
251107-41-2
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD20645612
IUPAC Name:
4-chloro-1H-indole-5-carboxylic acid
InChI:
InChI=1S/C9H6ClNO2/c10-8-5-3-4-11-7(5)2-1-6(8)9(12)13/h1-4,11H,(H,12,13)
InChI Key:
YYRDZTXRLMYLQY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1Cl)cc[nH]2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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