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141368-40-3 | 3,5-Cyclohexadiene-1,2-diol, 1-(4-chlorophenyl)-
CAS No: 141368-40-3 Catalog No: AG001GAU MDL No:
Product Description
Catalog Number:
AG001GAU
Chemical Name:
3,5-Cyclohexadiene-1,2-diol, 1-(4-chlorophenyl)-
CAS Number:
141368-40-3
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
IUPAC Name:
1-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
InChI:
InChI=1S/C12H11ClO2/c13-10-6-4-9(5-7-10)12(15)8-2-1-3-11(12)14/h1-8,11,14-15H
InChI Key:
MGNUZHSQRPCTQZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1(O)C=CC=CC1O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.668g/mol
Monoisotopic Mass:
222.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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