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288252-38-0 | 1H-Pyrazole-4-carbonyl chloride, 1-(4-chlorophenyl)-5-methyl-
CAS No: 288252-38-0 Catalog No: AG002WNS MDL No:MFCD03407325
Product Description
Catalog Number:
AG002WNS
Chemical Name:
1H-Pyrazole-4-carbonyl chloride, 1-(4-chlorophenyl)-5-methyl-
CAS Number:
288252-38-0
Molecular Formula:
C11H8Cl2N2O
Molecular Weight:
255.1000
MDL Number:
MFCD03407325
IUPAC Name:
1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
InChI:
InChI=1S/C11H8Cl2N2O/c1-7-10(11(13)16)6-14-15(7)9-4-2-8(12)3-5-9/h2-6H,1H3
InChI Key:
KUQHQFYKJPXTNB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1ncc(c1C)C(=O)Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.098g/mol
Monoisotopic Mass:
254.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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