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1379344-91-8 | Carbamic acid, N-(2-chloro-5-thiazolyl)-, 1,1-dimethylethyl ester
CAS No: 1379344-91-8 Catalog No: AG0017NK MDL No:
Product Description
Catalog Number:
AG0017NK
Chemical Name:
Carbamic acid, N-(2-chloro-5-thiazolyl)-, 1,1-dimethylethyl ester
CAS Number:
1379344-91-8
Molecular Formula:
C8H11ClN2O2S
Molecular Weight:
234.7031
IUPAC Name:
tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
InChI:
InChI=1S/C8H11ClN2O2S/c1-8(2,3)13-7(12)11-5-4-10-6(9)14-5/h4H,1-3H3,(H,11,12)
InChI Key:
SERDINDWSVFODE-UHFFFAOYSA-N
SMILES:
O=C(Nc1cnc(s1)Cl)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:
234.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.698g/mol
Monoisotopic Mass:
234.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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