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Home > Fluorides > 1314398-21-4
1314398-21-4 | Carbamic acid, N-(2,2-difluoro-3-hydroxypropyl)-, 1,1-dimethylethyl ester
CAS No: 1314398-21-4 Catalog No: AG000W6A MDL No:
Product Description
Catalog Number:
AG000W6A
Chemical Name:
Carbamic acid, N-(2,2-difluoro-3-hydroxypropyl)-, 1,1-dimethylethyl ester
CAS Number:
1314398-21-4
Molecular Formula:
C8H15F2NO3
Molecular Weight:
211.2064
IUPAC Name:
tert-butyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
InChI:
InChI=1S/C8H15F2NO3/c1-7(2,3)14-6(13)11-4-8(9,10)5-12/h12H,4-5H2,1-3H3,(H,11,13)
InChI Key:
GRLXPWNOGXJUKG-UHFFFAOYSA-N
SMILES:
OCC(CNC(=O)OC(C)(C)C)(F)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.102g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.209g/mol
Monoisotopic Mass:
211.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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