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31076-84-3 | Benzoyl chloride, 4-acetyl-
CAS No: 31076-84-3 Catalog No: AG00321Q MDL No:
Product Description
Catalog Number:
AG00321Q
Chemical Name:
Benzoyl chloride, 4-acetyl-
CAS Number:
31076-84-3
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
IUPAC Name:
4-acetylbenzoyl chloride
InChI:
InChI=1S/C9H7ClO2/c1-6(11)7-2-4-8(5-3-7)9(10)12/h2-5H,1H3
InChI Key:
UZPDKLGPANSZTM-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)C(=O)Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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