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1140-38-1 | 1H-Pyrazole-4-carboxylic acid, 5-chloro-3-methyl-1-phenyl-
CAS No: 1140-38-1 Catalog No: AG000A9S MDL No:MFCD00548507
Product Description
Catalog Number:
AG000A9S
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-chloro-3-methyl-1-phenyl-
CAS Number:
1140-38-1
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
MDL Number:
MFCD00548507
IUPAC Name:
5-chloro-3-methyl-1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H9ClN2O2/c1-7-9(11(15)16)10(12)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16)
InChI Key:
UTAROPFLQDDMNS-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nn(c1Cl)c1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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