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61150-59-2 | 2-(2-Bromo-4-fluorophenyl)acetic acid
CAS No: 61150-59-2 Catalog No: AG003GOC MDL No:MFCD04107675
Product Description
Catalog Number:
AG003GOC
Chemical Name:
2-(2-Bromo-4-fluorophenyl)acetic acid
CAS Number:
61150-59-2
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD04107675
IUPAC Name:
2-(2-bromo-4-fluorophenyl)acetic acid
InChI:
InChI=1S/C8H6BrFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
InChI Key:
MJSGXOXCPKTZTK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1Br)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.036g/mol
Monoisotopic Mass:
231.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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