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1260887-54-4 | Benzeneacetic acid, 2,3-difluoro-4-hydroxy-, methyl ester
CAS No: 1260887-54-4 Catalog No: AG000RJ3 MDL No:
Product Description
Catalog Number:
AG000RJ3
Chemical Name:
Benzeneacetic acid, 2,3-difluoro-4-hydroxy-, methyl ester
CAS Number:
1260887-54-4
Molecular Formula:
C9H8F2O3
Molecular Weight:
202.1548
IUPAC Name:
methyl 2-(2,3-difluoro-4-hydroxyphenyl)acetate
InChI:
InChI=1S/C9H8F2O3/c1-14-7(13)4-5-2-3-6(12)9(11)8(5)10/h2-3,12H,4H2,1H3
InChI Key:
WBDLUYMWXQCWCP-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1F)F)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.157g/mol
Monoisotopic Mass:
202.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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