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Home > Fluorides > 119085-63-1
119085-63-1 | Benzeneacetonitrile, 2-fluoro-α-hydroxy-4,5-dimethoxy-
CAS No: 119085-63-1 Catalog No: AG000I5C MDL No:
Product Description
Catalog Number:
AG000I5C
Chemical Name:
Benzeneacetonitrile, 2-fluoro-α-hydroxy-4,5-dimethoxy-
CAS Number:
119085-63-1
Molecular Formula:
C10H10FNO3
Molecular Weight:
211.1897
IUPAC Name:
(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-hydroxyacetonitrile
InChI:
InChI=1S/C10H10FNO3/c1-14-9-3-6(8(13)5-12)7(11)4-10(9)15-2/h3-4,8,13H,1-2H3/t8-/m0/s1
InChI Key:
BNBXXCYXZUPYQX-QMMMGPOBSA-N
SMILES:
N#CC(c1cc(OC)c(cc1F)OC)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
211.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.192g/mol
Monoisotopic Mass:
211.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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