Benzeneethanol, 3,4-dichloro-


Chemical Name: Benzeneethanol, 3,4-dichloro-
CAS Number: 35364-79-5
Product Number: AG00I70X(AGN-PC-0JOI1Y)
Synonyms:
MDL No: MFCD00800673
Molecular Formula: C8H8Cl2O
Molecular Weight: 191.0545

Identification/Properties


Computed Properties
Molecular Weight:
191.051g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
189.995g/mol
Monoisotopic Mass:
189.995g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
119
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



The chemical structure of Benzeneethanol, 3,4-dichloro- (C8H8Cl2O) is as follows: ``` Cl Cl | | H3C-C-C-OH | | | H-C-C-C | | | H H H ``` This structure represents a benzene ring with two chlorine atoms attached at the 3 and 4-positions and an ethanol (hydroxyethyl) group attached at the 1-position.