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146402-96-2 | Benzeneacetic acid, 2-(3-bromopropoxy)-, phenylmethyl ester
CAS No: 146402-96-2 Catalog No: AG001DZW MDL No:
Product Description
Catalog Number:
AG001DZW
Chemical Name:
Benzeneacetic acid, 2-(3-bromopropoxy)-, phenylmethyl ester
CAS Number:
146402-96-2
Molecular Formula:
C18H19BrO3
Molecular Weight:
363.2457
IUPAC Name:
benzyl 2-[2-(3-bromopropoxy)phenyl]acetate
InChI:
InChI=1S/C18H19BrO3/c19-11-6-12-21-17-10-5-4-9-16(17)13-18(20)22-14-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2
InChI Key:
IZQNMVRHQAGOQY-UHFFFAOYSA-N
SMILES:
BrCCCOc1ccccc1CC(=O)OCc1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.251g/mol
Monoisotopic Mass:
362.052g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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