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83706-98-3 | 2-Buten-1-ol,4,4,4-trifluoro-, (2Z)-
CAS No: 83706-98-3 Catalog No: AG0056BF MDL No:MFCD03092907
Product Description
Catalog Number:
AG0056BF
Chemical Name:
2-Buten-1-ol,4,4,4-trifluoro-, (2Z)-
CAS Number:
83706-98-3
Molecular Formula:
C4H5F3O
Molecular Weight:
126.0771
MDL Number:
MFCD03092907
IUPAC Name:
(Z)-4,4,4-trifluorobut-2-en-1-ol
InChI:
InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h1-2,8H,3H2/b2-1-
InChI Key:
UUTWQLLIVDODPQ-UPHRSURJSA-N
SMILES:
OC/C=C\C(F)(F)F
Properties
Complexity:
83.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
126.029g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.078g/mol
Monoisotopic Mass:
126.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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