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651026-98-1

651026-98-1 | 3-Bromo-2,4-difluorobenzoic acid

CAS No: 651026-98-1 Catalog No: AG0038KA MDL No:MFCD09261257

Product Description

Catalog Number:
AG0038KA
Chemical Name:
3-Bromo-2,4-difluorobenzoic acid
CAS Number:
651026-98-1
Molecular Formula:
C7H3BrF2O2
Molecular Weight:
236.9983
MDL Number:
MFCD09261257
IUPAC Name:
3-bromo-2,4-difluorobenzoic acid
InChI:
InChI=1S/C7H3BrF2O2/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2H,(H,11,12)
InChI Key:
LPHSBCGWEINIHT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1F)Br)F

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.928g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237g/mol
Monoisotopic Mass:
235.928g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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