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1781121-31-0 | 3-Oxetanemethanamine, 3-(difluoromethyl)-
CAS No: 1781121-31-0 Catalog No: AG0025RH MDL No:
Product Description
Catalog Number:
AG0025RH
Chemical Name:
3-Oxetanemethanamine, 3-(difluoromethyl)-
CAS Number:
1781121-31-0
Molecular Formula:
C5H9F2NO
Molecular Weight:
137.1279
IUPAC Name:
[3-(difluoromethyl)oxetan-3-yl]methanamine
InChI:
InChI=1S/C5H9F2NO/c6-4(7)5(1-8)2-9-3-5/h4H,1-3,8H2
InChI Key:
NYNCJBLFQIECEU-UHFFFAOYSA-N
SMILES:
NCC1(COC1)C(F)F
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.065g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.13g/mol
Monoisotopic Mass:
137.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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