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141456-98-6 | Phenol, dichloroethenyl- (9CI)
CAS No: 141456-98-6 Catalog No: AG001GF2 MDL No:
Product Description
Catalog Number:
AG001GF2
Chemical Name:
Phenol, dichloroethenyl- (9CI)
CAS Number:
141456-98-6
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
IUPAC Name:
2-(2,2-dichloroethenyl)phenol
InChI:
InChI=1S/C8H6Cl2O/c9-8(10)5-6-3-1-2-4-7(6)11/h1-5,11H
InChI Key:
PLUAWAXWGIKHJI-UHFFFAOYSA-N
SMILES:
ClC(=Cc1ccccc1O)Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.035g/mol
Monoisotopic Mass:
187.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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