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Home > Fluorides > 139516-73-7
139516-73-7 | 2-Butenenitrile, 4,4,4-trifluoro-3-hydroxy-
CAS No: 139516-73-7 Catalog No: AG001B5Z MDL No:
Product Description
Catalog Number:
AG001B5Z
Chemical Name:
2-Butenenitrile, 4,4,4-trifluoro-3-hydroxy-
CAS Number:
139516-73-7
Molecular Formula:
C4H2F3NO
Molecular Weight:
137.0600
IUPAC Name:
4,4,4-trifluoro-3-hydroxybut-2-enenitrile
InChI:
InChI=1S/C4H2F3NO/c5-4(6,7)3(9)1-2-8/h1,9H
InChI Key:
DGMHAJAZQPEFHR-UHFFFAOYSA-N
SMILES:
N#CC=C(C(F)(F)F)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.061g/mol
Monoisotopic Mass:
137.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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