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3047-25-4 | Benzene, 1-(3-buten-1-yl)-2-chloro-
CAS No: 3047-25-4 Catalog No: AG003092 MDL No:MFCD01319544
Product Description
Catalog Number:
AG003092
Chemical Name:
Benzene, 1-(3-buten-1-yl)-2-chloro-
CAS Number:
3047-25-4
Molecular Formula:
C10H11Cl
Molecular Weight:
166.6473
MDL Number:
MFCD01319544
IUPAC Name:
1-but-3-enyl-2-chlorobenzene
InChI:
InChI=1S/C10H11Cl/c1-2-3-6-9-7-4-5-8-10(9)11/h2,4-5,7-8H,1,3,6H2
InChI Key:
JHDGLVZTMGOMPL-UHFFFAOYSA-N
SMILES:
C=CCCc1ccccc1Cl
Properties
Complexity:
120
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:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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