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180741-31-5 | 1H-Pyrazole-1-acetic acid, 4-chloro-3-methyl-
CAS No: 180741-31-5 Catalog No: AG0022AG MDL No:MFCD03419597
Product Description
Catalog Number:
AG0022AG
Chemical Name:
1H-Pyrazole-1-acetic acid, 4-chloro-3-methyl-
CAS Number:
180741-31-5
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD03419597
IUPAC Name:
2-(4-chloro-3-methylpyrazol-1-yl)acetic acid
InChI:
InChI=1S/C6H7ClN2O2/c1-4-5(7)2-9(8-4)3-6(10)11/h2H,3H2,1H3,(H,10,11)
InChI Key:
GKOXLQBPFJJJGU-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cc(c(n1)C)Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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