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89662-68-0 | 1H-Pyrazole-1-carbonylchloride, 4,5-dihydro-5-methyl-
CAS No: 89662-68-0 Catalog No: AG0043U1 MDL No:
Product Description
Catalog Number:
AG0043U1
Chemical Name:
1H-Pyrazole-1-carbonylchloride, 4,5-dihydro-5-methyl-
CAS Number:
89662-68-0
Molecular Formula:
C5H7ClN2O
Molecular Weight:
146.5749
IUPAC Name:
3-methyl-3,4-dihydropyrazole-2-carbonyl chloride
InChI:
InChI=1S/C5H7ClN2O/c1-4-2-3-7-8(4)5(6)9/h3-4H,2H2,1H3
InChI Key:
IPMNBODEVSOIPB-UHFFFAOYSA-N
SMILES:
CC1CC=NN1C(=O)Cl
Properties
Complexity:
157
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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