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189164-96-3 | Benzeneacetic acid, 2-bromo-1-(1-naphthalenyl)ethyl ester
CAS No: 189164-96-3 Catalog No: AG002HZI MDL No:
Product Description
Catalog Number:
AG002HZI
Chemical Name:
Benzeneacetic acid, 2-bromo-1-(1-naphthalenyl)ethyl ester
CAS Number:
189164-96-3
Molecular Formula:
C20H17BrO2
Molecular Weight:
369.2518
IUPAC Name:
(2-bromo-1-naphthalen-1-ylethyl) 2-phenylacetate
InChI:
InChI=1S/C20H17BrO2/c21-14-19(23-20(22)13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19H,13-14H2
InChI Key:
QNYMGZAQQNLVBD-UHFFFAOYSA-N
SMILES:
BrCC(c1cccc2c1cccc2)OC(=O)Cc1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.041g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.258g/mol
Monoisotopic Mass:
368.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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