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1017777-83-1 | Benzeneacetic acid, 6-chloro-2-fluoro-3-methoxy-
CAS No: 1017777-83-1 Catalog No: AG0005HM MDL No:MFCD09832273
Product Description
Catalog Number:
AG0005HM
Chemical Name:
Benzeneacetic acid, 6-chloro-2-fluoro-3-methoxy-
CAS Number:
1017777-83-1
Molecular Formula:
C9H8ClFO3
Molecular Weight:
218.6094
MDL Number:
MFCD09832273
IUPAC Name:
2-(6-chloro-2-fluoro-3-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H8ClFO3/c1-14-7-3-2-6(10)5(9(7)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChI Key:
SZVJYTRCVDHYHX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1F)CC(=O)O)Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.608g/mol
Monoisotopic Mass:
218.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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