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70345-19-6 | Benzenepropanoic acid, 4-bromo-beta-fluoro-, ethyl ester
CAS No: 70345-19-6 Catalog No: AG01F7LJ MDL No:
Product Description
Catalog Number:
AG01F7LJ
Chemical Name:
Benzenepropanoic acid, 4-bromo-beta-fluoro-, ethyl ester
CAS Number:
70345-19-6
Molecular Formula:
C11H12BrFO2
Molecular Weight:
275.1142
IUPAC Name:
ethyl 3-(4-bromophenyl)-3-fluoropropanoate
InChI:
InChI=1S/C11H12BrFO2/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3
InChI Key:
AJMMPVGJILBKBM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(c1ccc(cc1)Br)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.117g/mol
Monoisotopic Mass:
274g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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