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1219606-48-0 | Carbamic acid, N-(3,3,3-trifluoro-2-hydroxypropyl)-, 1,1-dimethylethyl ester
CAS No: 1219606-48-0 Catalog No: AG0016H5 MDL No:MFCD09750549
Product Description
Catalog Number:
AG0016H5
Chemical Name:
Carbamic acid, N-(3,3,3-trifluoro-2-hydroxypropyl)-, 1,1-dimethylethyl ester
CAS Number:
1219606-48-0
Molecular Formula:
C8H14F3NO3
Molecular Weight:
229.1969
MDL Number:
MFCD09750549
IUPAC Name:
tert-butyl N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate
InChI:
InChI=1S/C8H14F3NO3/c1-7(2,3)15-6(14)12-4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)
InChI Key:
NCSJLZBMIHPPLI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(C(F)(F)F)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.199g/mol
Monoisotopic Mass:
229.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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