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1260779-00-7 | Benzeneacetic acid, 4-amino-2,3-difluoro-6-methoxy-
CAS No: 1260779-00-7 Catalog No: AG000R80 MDL No:
Product Description
Catalog Number:
AG000R80
Chemical Name:
Benzeneacetic acid, 4-amino-2,3-difluoro-6-methoxy-
CAS Number:
1260779-00-7
Molecular Formula:
C9H9F2NO3
Molecular Weight:
217.1695
IUPAC Name:
2-(4-amino-2,3-difluoro-6-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H9F2NO3/c1-15-6-3-5(12)9(11)8(10)4(6)2-7(13)14/h3H,2,12H2,1H3,(H,13,14)
InChI Key:
ZEMZNJQTUMBOAA-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(c(c1CC(=O)O)F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.172g/mol
Monoisotopic Mass:
217.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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