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167082-57-7 | Benzoyl chloride, 3,5-bis(chloromethyl)-
CAS No: 167082-57-7 Catalog No: AG001X3N MDL No:
Product Description
Catalog Number:
AG001X3N
Chemical Name:
Benzoyl chloride, 3,5-bis(chloromethyl)-
CAS Number:
167082-57-7
Molecular Formula:
C9H7Cl3O
Molecular Weight:
237.5103
IUPAC Name:
3,5-bis(chloromethyl)benzoyl chloride
InChI:
InChI=1S/C9H7Cl3O/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3H,4-5H2
InChI Key:
YLTACSLSISHCMR-UHFFFAOYSA-N
SMILES:
ClCc1cc(CCl)cc(c1)C(=O)Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.956g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.504g/mol
Monoisotopic Mass:
235.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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