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1000576-79-3 | Carbamic acid, N-(4-bromo-2-thiazolyl)-N-methyl-, 1,1-dimethylethyl ester
CAS No: 1000576-79-3 Catalog No: AG0000QW MDL No:MFCD09878588
Product Description
Catalog Number:
AG0000QW
Chemical Name:
Carbamic acid, N-(4-bromo-2-thiazolyl)-N-methyl-, 1,1-dimethylethyl ester
CAS Number:
1000576-79-3
Molecular Formula:
C9H13BrN2O2S
Molecular Weight:
293.1807
MDL Number:
MFCD09878588
IUPAC Name:
tert-butyl N-(4-bromo-1,3-thiazol-2-yl)-N-methylcarbamate
InChI:
InChI=1S/C9H13BrN2O2S/c1-9(2,3)14-8(13)12(4)7-11-6(10)5-15-7/h5H,1-4H3
InChI Key:
BDDLXGFSUQQZHA-UHFFFAOYSA-N
SMILES:
CN(c1scc(n1)Br)C(=O)OC(C)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.988g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.179g/mol
Monoisotopic Mass:
291.988g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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