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137317-61-4 | Phenol, 3-chloro-4-[2-(4-hydroxyphenyl)ethyl]-
CAS No: 137317-61-4 Catalog No: AG001335 MDL No:
Product Description
Catalog Number:
AG001335
Chemical Name:
Phenol, 3-chloro-4-[2-(4-hydroxyphenyl)ethyl]-
CAS Number:
137317-61-4
Molecular Formula:
C14H13ClO2
Molecular Weight:
248.7048
IUPAC Name:
3-chloro-4-[2-(4-hydroxyphenyl)ethyl]phenol
InChI:
InChI=1S/C14H13ClO2/c15-14-9-13(17)8-5-11(14)4-1-10-2-6-12(16)7-3-10/h2-3,5-9,16-17H,1,4H2
InChI Key:
DADJKKTXSSECSL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CCc1ccc(cc1Cl)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.706g/mol
Monoisotopic Mass:
248.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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