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20536-95-2 | Phenol, 5-chloro-2-[(phenylimino)methyl]-
CAS No: 20536-95-2 Catalog No: AG002A16 MDL No:
Product Description
Catalog Number:
AG002A16
Chemical Name:
Phenol, 5-chloro-2-[(phenylimino)methyl]-
CAS Number:
20536-95-2
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
IUPAC Name:
5-chloro-2-(phenyliminomethyl)phenol
InChI:
InChI=1S/C13H10ClNO/c14-11-7-6-10(13(16)8-11)9-15-12-4-2-1-3-5-12/h1-9,16H
InChI Key:
GPSADWNCGLTOAK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)O)C=Nc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.679g/mol
Monoisotopic Mass:
231.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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