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1260776-59-7 | Benzeneacetic acid, 4-amino-3-bromo-5-fluoro-
CAS No: 1260776-59-7 Catalog No: AG000R76 MDL No:
Product Description
Catalog Number:
AG000R76
Chemical Name:
Benzeneacetic acid, 4-amino-3-bromo-5-fluoro-
CAS Number:
1260776-59-7
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
IUPAC Name:
2-(4-amino-3-bromo-5-fluorophenyl)acetic acid
InChI:
InChI=1S/C8H7BrFNO2/c9-5-1-4(3-7(12)13)2-6(10)8(5)11/h1-2H,3,11H2,(H,12,13)
InChI Key:
WBNFIIBUIQPINE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(F)c(c(c1)Br)N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.964g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.051g/mol
Monoisotopic Mass:
246.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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