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24993-81-5 | Benzoyl chloride, 4-(2-bromoethyl)-
CAS No: 24993-81-5 Catalog No: AG002Q4S MDL No:
Product Description
Catalog Number:
AG002Q4S
Chemical Name:
Benzoyl chloride, 4-(2-bromoethyl)-
CAS Number:
24993-81-5
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
IUPAC Name:
4-(2-bromoethyl)benzoyl chloride
InChI:
InChI=1S/C9H8BrClO/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2
InChI Key:
PGYNCQRVANCTNL-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(cc1)C(=O)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.516g/mol
Monoisotopic Mass:
245.945g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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