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168476-58-2 | Benzeneethanol, 2-(chloromethyl)-, 1-benzoate
CAS No: 168476-58-2 Catalog No: AG001Y36 MDL No:
Product Description
Catalog Number:
AG001Y36
Chemical Name:
Benzeneethanol, 2-(chloromethyl)-, 1-benzoate
CAS Number:
168476-58-2
Molecular Formula:
C16H15ClO2
Molecular Weight:
274.7421
IUPAC Name:
2-[2-(chloromethyl)phenyl]ethyl benzoate
InChI:
InChI=1S/C16H15ClO2/c17-12-15-9-5-4-6-13(15)10-11-19-16(18)14-7-2-1-3-8-14/h1-9H,10-12H2
InChI Key:
ROPIKNICZPOGML-UHFFFAOYSA-N
SMILES:
ClCc1ccccc1CCOC(=O)c1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.076g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.744g/mol
Monoisotopic Mass:
274.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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