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1173246-76-8 | 1H-Pyrazole-3-carboxylic acid, 5-chloro-1-methyl-
CAS No: 1173246-76-8 Catalog No: AG000E4S MDL No:MFCD00106211
Product Description
Catalog Number:
AG000E4S
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-chloro-1-methyl-
CAS Number:
1173246-76-8
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD00106211
IUPAC Name:
5-chloro-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5ClN2O2/c1-8-4(6)2-3(7-8)5(9)10/h2H,1H3,(H,9,10)
InChI Key:
KXFLDFBYTWSMPV-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1Cl)C(=O)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.557g/mol
Monoisotopic Mass:
160.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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