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1261855-30-4 | Benzenepropanoic acid, 2-bromo-5-fluoro-, methyl ester
CAS No: 1261855-30-4 Catalog No: AG000S2L MDL No:MFCD18398775
Product Description
Catalog Number:
AG000S2L
Chemical Name:
Benzenepropanoic acid, 2-bromo-5-fluoro-, methyl ester
CAS Number:
1261855-30-4
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
MDL Number:
MFCD18398775
IUPAC Name:
methyl 3-(2-bromo-5-fluorophenyl)propanoate
InChI:
InChI=1S/C10H10BrFO2/c1-14-10(13)5-2-7-6-8(12)3-4-9(7)11/h3-4,6H,2,5H2,1H3
InChI Key:
DKZOTSFLEPEWMJ-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1cc(F)ccc1Br
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.09g/mol
Monoisotopic Mass:
259.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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