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81234-46-0 | Benzene, 1-chloro-4-(1,3-dichloro-1-propenyl)-
CAS No: 81234-46-0 Catalog No: AG005F3C MDL No:
Product Description
Catalog Number:
AG005F3C
Chemical Name:
Benzene, 1-chloro-4-(1,3-dichloro-1-propenyl)-
CAS Number:
81234-46-0
Molecular Formula:
C9H7Cl3
Molecular Weight:
221.5109
IUPAC Name:
1-chloro-4-(1,3-dichloroprop-1-enyl)benzene
InChI:
InChI=1S/C9H7Cl3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-5H,6H2
InChI Key:
CVRSPQFURPBQPZ-UHFFFAOYSA-N
SMILES:
ClCC=C(c1ccc(cc1)Cl)Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.961g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.505g/mol
Monoisotopic Mass:
219.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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