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1268521-16-9 | Carbamic acid, N-[(1R)-1-[(1R)-2-chloro-1-hydroxyethyl]-3,3-dimethylbutyl]-, 1,1-dimethylethyl ester, rel-
CAS No: 1268521-16-9 Catalog No: AG000TCC MDL No:
Product Description
Catalog Number:
AG000TCC
Chemical Name:
Carbamic acid, N-[(1R)-1-[(1R)-2-chloro-1-hydroxyethyl]-3,3-dimethylbutyl]-, 1,1-dimethylethyl ester, rel-
CAS Number:
1268521-16-9
Molecular Formula:
C13H26ClNO3
Molecular Weight:
279.8034
IUPAC Name:
tert-butyl N-[(2S,3S)-1-chloro-2-hydroxy-5,5-dimethylhexan-3-yl]carbamate
InChI:
InChI=1S/C13H26ClNO3/c1-12(2,3)7-9(10(16)8-14)15-11(17)18-13(4,5)6/h9-10,16H,7-8H2,1-6H3,(H,15,17)/t9-,10+/m0/s1
InChI Key:
NWVZHJFLDVDYEO-VHSXEESVSA-N
SMILES:
ClC[C@@H]([C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
279.16g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.805g/mol
Monoisotopic Mass:
279.16g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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