Home Bromides 1003048-71-2
1003048-71-2,MFCD11036290
Catalog No.:AA0001HD
1003048-71-2 | Benzenepropanoic acid, 2-bromo-5-fluoro-
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5g
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$1,176.00
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Technical Information
Catalog Number:
AA0001HD
Chemical Name:
Benzenepropanoic acid, 2-bromo-5-fluoro-
CAS Number:
1003048-71-2
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
MDL Number:
MFCD11036290
IUPAC Name:
3-(2-bromo-5-fluorophenyl)propanoic acid
InChI:
InChI=1S/C9H8BrFO2/c10-8-3-2-7(11)5-6(8)1-4-9(12)13/h2-3,5H,1,4H2,(H,12,13)
InChI Key:
CBKSPBGBNLIACD-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(F)ccc1Br
Properties
Computed Properties
 
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.063g/mol
Monoisotopic Mass:
245.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
1003048-71-2 
3-(2-bromo-5-fluorophenyl)propanoic acid 
NE14838 
QC-7908 
AJ-92077 
Benzenepropanoic acid, 2-bromo-5-fluoro- 
ST2401804 
TC-071970 
CS-0059798 
I01-8675 
Z1816233691 
ACN-052367 
2-Bromo-5-fluorobenzenepropanoic acid 
3-(2-bromo-5-fluorophenyl)propanoicacid 
SCHEMBL12261416 
CTK8D3614 
DTXSID00656122 
MFCD11036290 
ZINC35688530 
AKOS009556162 
MCULE-5248031550 
Literature
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