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114686-85-0 | Benzeneethanol, 2,3-dichloro-
CAS No: 114686-85-0 Catalog No: AG000F1O MDL No:MFCD04112742
Product Description
Catalog Number:
AG000F1O
Chemical Name:
Benzeneethanol, 2,3-dichloro-
CAS Number:
114686-85-0
Molecular Formula:
C8H8Cl2O
Molecular Weight:
191.0545
MDL Number:
MFCD04112742
IUPAC Name:
2-(2,3-dichlorophenyl)ethanol
InChI:
InChI=1S/C8H8Cl2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2
InChI Key:
FJJDHDLMGJKZKV-UHFFFAOYSA-N
SMILES:
OCCc1cccc(c1Cl)Cl
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.051g/mol
Monoisotopic Mass:
189.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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