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190596-98-6 | 1,4-Benzenediol, 2-[(3-chlorophenyl)methyl]-
CAS No: 190596-98-6 Catalog No: AG002ENF MDL No:
Product Description
Catalog Number:
AG002ENF
Chemical Name:
1,4-Benzenediol, 2-[(3-chlorophenyl)methyl]-
CAS Number:
190596-98-6
Molecular Formula:
C13H11ClO2
Molecular Weight:
234.6782
IUPAC Name:
2-[(3-chlorophenyl)methyl]benzene-1,4-diol
InChI:
InChI=1S/C13H11ClO2/c14-11-3-1-2-9(7-11)6-10-8-12(15)4-5-13(10)16/h1-5,7-8,15-16H,6H2
InChI Key:
DXMCNFYHTVWNGF-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Cc1cccc(c1)Cl)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.679g/mol
Monoisotopic Mass:
234.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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