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117269-67-7 | Benzene, 2-(3-buten-1-yl)-1,3-dichloro-
CAS No: 117269-67-7 Catalog No: AG000E05 MDL No:
Product Description
Catalog Number:
AG000E05
Chemical Name:
Benzene, 2-(3-buten-1-yl)-1,3-dichloro-
CAS Number:
117269-67-7
Molecular Formula:
C10H10Cl2
Molecular Weight:
201.0924
IUPAC Name:
2-but-3-enyl-1,3-dichlorobenzene
InChI:
InChI=1S/C10H10Cl2/c1-2-3-5-8-9(11)6-4-7-10(8)12/h2,4,6-7H,1,3,5H2
InChI Key:
ZRBPFCPGZWEQLV-UHFFFAOYSA-N
SMILES:
C=CCCc1c(Cl)cccc1Cl
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.016g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.09g/mol
Monoisotopic Mass:
200.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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