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7398-81-4 | Benzeneacetic acid, 4-(bromomethyl)-, ethyl ester
CAS No: 7398-81-4 Catalog No: AG005IQ4 MDL No:
Product Description
Catalog Number:
AG005IQ4
Chemical Name:
Benzeneacetic acid, 4-(bromomethyl)-, ethyl ester
CAS Number:
7398-81-4
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
IUPAC Name:
ethyl 2-[4-(bromomethyl)phenyl]acetate
InChI:
InChI=1S/C11H13BrO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6H,2,7-8H2,1H3
InChI Key:
DIRNFSQJXFUUEF-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cc1)CBr
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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