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881668-70-8 | 5-Chloropyrazole-3-carboxylic Acid
CAS No: 881668-70-8 Catalog No: AG003498 MDL No:MFCD09608056
Product Description
Catalog Number:
AG003498
Chemical Name:
5-Chloropyrazole-3-carboxylic Acid
CAS Number:
881668-70-8
Molecular Formula:
C4H3ClN2O2
Molecular Weight:
146.5318
MDL Number:
MFCD09608056
IUPAC Name:
5-chloro-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C4H3ClN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChI Key:
MOTPCOWWOZSEHC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc([nH]n1)Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.988g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.53g/mol
Monoisotopic Mass:
145.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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