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113962-85-9 | Phenol, 2-(2-chloroethyl)-
CAS No: 113962-85-9 Catalog No: AG000A5U MDL No:
Product Description
Catalog Number:
AG000A5U
Chemical Name:
Phenol, 2-(2-chloroethyl)-
CAS Number:
113962-85-9
Molecular Formula:
C8H9ClO
Molecular Weight:
156.6095
IUPAC Name:
2-(2-chloroethyl)phenol
InChI:
InChI=1S/C8H9ClO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5-6H2
InChI Key:
KOGNZHHFKMRHBJ-UHFFFAOYSA-N
SMILES:
ClCCc1ccccc1O
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.609g/mol
Monoisotopic Mass:
156.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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