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871035-64-2 | 2-(4-Bromo-2,5-difluorophenyl)acetic acid
CAS No: 871035-64-2 Catalog No: AG004P7D MDL No:MFCD11847567
Product Description
Catalog Number:
AG004P7D
Chemical Name:
2-(4-Bromo-2,5-difluorophenyl)acetic acid
CAS Number:
871035-64-2
Molecular Formula:
C8H5BrF2O2
Molecular Weight:
251.0249
MDL Number:
MFCD11847567
IUPAC Name:
2-(4-bromo-2,5-difluorophenyl)acetic acid
InChI:
InChI=1S/C8H5BrF2O2/c9-5-3-6(10)4(1-7(5)11)2-8(12)13/h1,3H,2H2,(H,12,13)
InChI Key:
PFORRJHNRGZDKP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(F)c(cc1F)Br
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.944g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.027g/mol
Monoisotopic Mass:
249.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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