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1245647-95-3 | Carbamic acid, N-(2-bromo-4-thiazolyl)-, 1,1-dimethylethyl ester
CAS No: 1245647-95-3 Catalog No: AG000MBR MDL No:MFCD12032212
Product Description
Catalog Number:
AG000MBR
Chemical Name:
Carbamic acid, N-(2-bromo-4-thiazolyl)-, 1,1-dimethylethyl ester
CAS Number:
1245647-95-3
Molecular Formula:
C8H11BrN2O2S
Molecular Weight:
279.1541
MDL Number:
MFCD12032212
IUPAC Name:
tert-butyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
InChI:
InChI=1S/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-5-4-14-6(9)10-5/h4H,1-3H3,(H,11,12)
InChI Key:
DWCKSUYBQZIMIG-UHFFFAOYSA-N
SMILES:
O=C(Nc1csc(n1)Br)OC(C)(C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.972g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.152g/mol
Monoisotopic Mass:
277.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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