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69614-96-6 | Ethanone, 2-bromo-1-[4-(2-chloroethyl)phenyl]-
CAS No: 69614-96-6 Catalog No: AG005JYX MDL No:
Product Description
Catalog Number:
AG005JYX
Chemical Name:
Ethanone, 2-bromo-1-[4-(2-chloroethyl)phenyl]-
CAS Number:
69614-96-6
Molecular Formula:
C10H10BrClO
Molecular Weight:
261.5428
IUPAC Name:
2-bromo-1-[4-(2-chloroethyl)phenyl]ethanone
InChI:
InChI=1S/C10H10BrClO/c11-7-10(13)9-3-1-8(2-4-9)5-6-12/h1-4H,5-7H2
InChI Key:
YSDHRQRAVFIIQJ-UHFFFAOYSA-N
SMILES:
ClCCc1ccc(cc1)C(=O)CBr
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.543g/mol
Monoisotopic Mass:
259.96g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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