Home Carbonyls Pyrazole-1-carbonyl chloride

Pyrazole-1-carbonyl chloride

CAS No.:
53355-55-8
Catalog Number:
AG00I9IY
Molecular Formula:
C4H3ClN2O
Molecular Weight:
130.5324
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Product Description
Catalog Number:
AG00I9IY
Chemical Name:
Pyrazole-1-carbonyl chloride
CAS Number:
53355-55-8
Molecular Formula:
C4H3ClN2O
Molecular Weight:
130.5324
MDL Number:
MFCD23378466
IUPAC Name:
pyrazole-1-carbonyl chloride
InChI:
InChI=1S/C4H3ClN2O/c5-4(8)7-3-1-2-6-7/h1-3H
InChI Key:
NJXRORHHSPMXRO-UHFFFAOYSA-N
SMILES:
ClC(=O)n1cccn1
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.993g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.531g/mol
Monoisotopic Mass:
129.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties