Home Halogens Benzeneethanol, 2-(chloromethyl)-, 1-benzoate

Benzeneethanol, 2-(chloromethyl)-, 1-benzoate

CAS No.:
168476-58-2
Catalog Number:
AG001Y36
Molecular Formula:
C16H15ClO2
Molecular Weight:
274.7421
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Product Description
Catalog Number:
AG001Y36
Chemical Name:
Benzeneethanol, 2-(chloromethyl)-, 1-benzoate
CAS Number:
168476-58-2
Molecular Formula:
C16H15ClO2
Molecular Weight:
274.7421
MDL Number:
MFCD01570868
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  
Properties