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1216909-62-4 | 1H-Pyrazole-5-carboxylic acid, 3-chloro-1-phenyl-
CAS No: 1216909-62-4 Catalog No: AG0015KG MDL No:MFCD09260319
Product Description
Catalog Number:
AG0015KG
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-chloro-1-phenyl-
CAS Number:
1216909-62-4
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD09260319
IUPAC Name:
5-chloro-2-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H7ClN2O2/c11-9-6-8(10(14)15)13(12-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key:
LKZUOESFSVMNDF-UHFFFAOYSA-N
SMILES:
Clc1nn(c(c1)C(=O)O)c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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