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310480-85-4 | Carbamic acid, N-[2-[[(4-bromophenyl)sulfonyl]amino]ethyl]-, 1,1-dimethylethyl ester
CAS No: 310480-85-4 Catalog No: AG0031ZM MDL No:MFCD06659915
Product Description
Catalog Number:
AG0031ZM
Chemical Name:
Carbamic acid, N-[2-[[(4-bromophenyl)sulfonyl]amino]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
310480-85-4
Molecular Formula:
C13H19BrN2O4S
Molecular Weight:
379.2700
MDL Number:
MFCD06659915
IUPAC Name:
tert-butyl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate
InChI:
InChI=1S/C13H19BrN2O4S/c1-13(2,3)20-12(17)15-8-9-16-21(18,19)11-6-4-10(14)5-7-11/h4-7,16H,8-9H2,1-3H3,(H,15,17)
InChI Key:
NBFPYRUCEUVPFK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCNS(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.269g/mol
Monoisotopic Mass:
378.025g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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