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1333-15-9 | Phenol, methylenebis[chloro- (8CI,9CI)
CAS No: 1333-15-9 Catalog No: AG0014KI MDL No:
Product Description
Catalog Number:
AG0014KI
Chemical Name:
Phenol, methylenebis[chloro- (8CI,9CI)
CAS Number:
1333-15-9
Molecular Formula:
C13H10Cl2O2
Molecular Weight:
269.1233
IUPAC Name:
3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol
InChI:
InChI=1S/C13H10Cl2O2/c14-10-3-1-5-12(16)8(10)7-9-11(15)4-2-6-13(9)17/h1-6,16-17H,7H2
InChI Key:
JXRJCEWQVOBGMX-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1Cc1c(O)cccc1Cl)Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.121g/mol
Monoisotopic Mass:
268.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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