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1137-17-3

1137-17-3 | 1H-Pyrazole-3-carboxylic acid, 5-chloro-1-phenyl-

CAS No: 1137-17-3 Catalog No: AG0009DB MDL No:

Product Description

Catalog Number:
AG0009DB
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-chloro-1-phenyl-
CAS Number:
1137-17-3
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
IUPAC Name:
5-chloro-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H7ClN2O2/c11-9-6-8(10(14)15)12-13(9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key:
UPDIMIJPSZSIGL-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1)Cl)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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