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958027-87-7 | Benzene, 1,3-dichloro-2-(2-chloroethyl)-
CAS No: 958027-87-7 Catalog No: AG01FC5O MDL No:
Product Description
Catalog Number:
AG01FC5O
Chemical Name:
Benzene, 1,3-dichloro-2-(2-chloroethyl)-
CAS Number:
958027-87-7
Molecular Formula:
C8H7Cl3
Molecular Weight:
209.5002
IUPAC Name:
1,3-dichloro-2-(2-chloroethyl)benzene
InChI:
InChI=1S/C8H7Cl3/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H,4-5H2
InChI Key:
VXFHBHKYFGRDLX-UHFFFAOYSA-N
SMILES:
ClCCc1c(Cl)cccc1Cl
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.961g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.494g/mol
Monoisotopic Mass:
207.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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