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1266114-00-4 | Carbamic acid, N-[(1R)-2-(4-bromophenyl)-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1266114-00-4 Catalog No: AG01F33E MDL No:
Product Description
Catalog Number:
AG01F33E
Chemical Name:
Carbamic acid, N-[(1R)-2-(4-bromophenyl)-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1266114-00-4
Molecular Formula:
C14H20BrNO3
Molecular Weight:
330.2175
IUPAC Name:
tert-butyl N-[(2R)-1-(4-bromophenyl)-3-hydroxypropan-2-yl]carbamate
InChI:
InChI=1S/C14H20BrNO3/c1-14(2,3)19-13(18)16-12(9-17)8-10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m1/s1
InChI Key:
WHWUXGXKXNAINU-GFCCVEGCSA-N
SMILES:
OC[C@@H](Cc1ccc(cc1)Br)NC(=O)OC(C)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.222g/mol
Monoisotopic Mass:
329.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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