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15854-63-4 | Benzene, (3-chloro-2-buten-1-yl)-
CAS No: 15854-63-4 Catalog No: AG001QAO MDL No:
Product Description
Catalog Number:
AG001QAO
Chemical Name:
Benzene, (3-chloro-2-buten-1-yl)-
CAS Number:
15854-63-4
Molecular Formula:
C10H11Cl
Molecular Weight:
166.6473
IUPAC Name:
3-chlorobut-2-enylbenzene
InChI:
InChI=1S/C10H11Cl/c1-9(11)7-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChI Key:
BMKFTLGOMZXRQC-UHFFFAOYSA-N
SMILES:
CC(=CCc1ccccc1)Cl
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.055g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.648g/mol
Monoisotopic Mass:
166.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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