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89662-67-9 | 1H-Pyrazole-1-carbonylchloride, 4,5-dihydro-3-methyl-
CAS No: 89662-67-9 Catalog No: AG0044VN MDL No:MFCD13173521
Product Description
Catalog Number:
AG0044VN
Chemical Name:
1H-Pyrazole-1-carbonylchloride, 4,5-dihydro-3-methyl-
CAS Number:
89662-67-9
Molecular Formula:
C5H7ClN2O
Molecular Weight:
146.5749
MDL Number:
MFCD13173521
IUPAC Name:
5-methyl-3,4-dihydropyrazole-2-carbonyl chloride
InChI:
InChI=1S/C5H7ClN2O/c1-4-2-3-8(7-4)5(6)9/h2-3H2,1H3
InChI Key:
STFLXEFNZLZZEH-UHFFFAOYSA-N
SMILES:
CC1=NN(CC1)C(=O)Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.574g/mol
Monoisotopic Mass:
146.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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