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82772-44-9 | Benzene, (4,4-dichloro-3-methoxybutyl)-
CAS No: 82772-44-9 Catalog No: AG004TFN MDL No:
Product Description
Catalog Number:
AG004TFN
Chemical Name:
Benzene, (4,4-dichloro-3-methoxybutyl)-
CAS Number:
82772-44-9
Molecular Formula:
C11H14Cl2O
Molecular Weight:
233.1343
IUPAC Name:
(4,4-dichloro-3-methoxybutyl)benzene
InChI:
InChI=1S/C11H14Cl2O/c1-14-10(11(12)13)8-7-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChI Key:
REBNEXLBUVFIIP-UHFFFAOYSA-N
SMILES:
COC(C(Cl)Cl)CCc1ccccc1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.132g/mol
Monoisotopic Mass:
232.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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