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1260778-94-6 | Benzeneacetic acid, 4-amino-3-chloro-5-fluoro-2-methyl-
CAS No: 1260778-94-6 Catalog No: AG000R81 MDL No:
Product Description
Catalog Number:
AG000R81
Chemical Name:
Benzeneacetic acid, 4-amino-3-chloro-5-fluoro-2-methyl-
CAS Number:
1260778-94-6
Molecular Formula:
C9H9ClFNO2
Molecular Weight:
217.6247
IUPAC Name:
2-(4-amino-3-chloro-5-fluoro-2-methylphenyl)acetic acid
InChI:
InChI=1S/C9H9ClFNO2/c1-4-5(3-7(13)14)2-6(11)9(12)8(4)10/h2H,3,12H2,1H3,(H,13,14)
InChI Key:
DYJVISDZEXEABA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(F)c(c(c1C)Cl)N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.624g/mol
Monoisotopic Mass:
217.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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