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100125-95-9 | Benzeneacetic acid, 4-(2-bromoethoxy)-, methyl ester
CAS No: 100125-95-9 Catalog No: AG00010N MDL No:
Product Description
Catalog Number:
AG00010N
Chemical Name:
Benzeneacetic acid, 4-(2-bromoethoxy)-, methyl ester
CAS Number:
100125-95-9
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
IUPAC Name:
methyl 2-[4-(2-bromoethoxy)phenyl]acetate
InChI:
InChI=1S/C11H13BrO3/c1-14-11(13)8-9-2-4-10(5-3-9)15-7-6-12/h2-5H,6-8H2,1H3
InChI Key:
NCEPIIRKXIJJJM-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1)CC(=O)OC
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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