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1393688-82-8 | 3-Oxetanemethanol, 3-(difluoromethyl)-
CAS No: 1393688-82-8 Catalog No: AG001AVF MDL No:
Product Description
Catalog Number:
AG001AVF
Chemical Name:
3-Oxetanemethanol, 3-(difluoromethyl)-
CAS Number:
1393688-82-8
Molecular Formula:
C5H8F2O2
Molecular Weight:
138.1126
IUPAC Name:
[3-(difluoromethyl)oxetan-3-yl]methanol
InChI:
InChI=1S/C5H8F2O2/c6-4(7)5(1-8)2-9-3-5/h4,8H,1-3H2
InChI Key:
QRAZUHUBNRHJHZ-UHFFFAOYSA-N
SMILES:
OCC1(COC1)C(F)F
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.049g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.114g/mol
Monoisotopic Mass:
138.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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