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127425-80-3

127425-80-3 | Benzenepropanoic acid, 4-bromo-3-fluoro-

CAS No: 127425-80-3 Catalog No: AG000X2S MDL No:MFCD18391366

Product Description

Catalog Number:
AG000X2S
Chemical Name:
Benzenepropanoic acid, 4-bromo-3-fluoro-
CAS Number:
127425-80-3
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
MDL Number:
MFCD18391366
IUPAC Name:
3-(4-bromo-3-fluorophenyl)propanoic acid
InChI:
InChI=1S/C9H8BrFO2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChI Key:
QOMIQOAKYSTKEF-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(c(c1)F)Br

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  

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