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1260793-35-8 | Benzeneacetic acid, 4-amino-2-fluoro-5-methoxy-
CAS No: 1260793-35-8 Catalog No: AG000R9U MDL No:
Product Description
Catalog Number:
AG000R9U
Chemical Name:
Benzeneacetic acid, 4-amino-2-fluoro-5-methoxy-
CAS Number:
1260793-35-8
Molecular Formula:
C9H10FNO3
Molecular Weight:
199.1790
IUPAC Name:
2-(4-amino-2-fluoro-5-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H10FNO3/c1-14-8-2-5(3-9(12)13)6(10)4-7(8)11/h2,4H,3,11H2,1H3,(H,12,13)
InChI Key:
WQBDGBSQYPCKTG-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=O)O)c(cc1N)F
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.181g/mol
Monoisotopic Mass:
199.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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