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88522-07-0 | 3-Cyclohexene-1-carbonyl chloride, 4-phenyl-
CAS No: 88522-07-0 Catalog No: AG0048G6 MDL No:
Product Description
Catalog Number:
AG0048G6
Chemical Name:
3-Cyclohexene-1-carbonyl chloride, 4-phenyl-
CAS Number:
88522-07-0
Molecular Formula:
C13H13ClO
Molecular Weight:
220.6947
IUPAC Name:
4-phenylcyclohex-3-ene-1-carbonyl chloride
InChI:
InChI=1S/C13H13ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-6,12H,7-9H2
InChI Key:
RWPZCUHEGULKGA-UHFFFAOYSA-N
SMILES:
ClC(=O)C1CCC(=CC1)c1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.696g/mol
Monoisotopic Mass:
220.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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