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1235406-85-5 | Carbamic acid, N-[(5-chloro-2,4-difluorophenyl)sulfonyl]-N-4-thiazolyl-, 1,1-dimethylethyl ester
CAS No: 1235406-85-5 Catalog No: AG000KRE MDL No:MFCD22575038
Product Description
Catalog Number:
AG000KRE
Chemical Name:
Carbamic acid, N-[(5-chloro-2,4-difluorophenyl)sulfonyl]-N-4-thiazolyl-, 1,1-dimethylethyl ester
CAS Number:
1235406-85-5
Molecular Formula:
C14H13ClF2N2O4S2
Molecular Weight:
410.8438
MDL Number:
MFCD22575038
IUPAC Name:
tert-butyl N-(5-chloro-2,4-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate
InChI:
InChI=1S/C14H13ClF2N2O4S2/c1-14(2,3)23-13(20)19(12-6-24-7-18-12)25(21,22)11-4-8(15)9(16)5-10(11)17/h4-7H,1-3H3
InChI Key:
WQUXRPSUESZMDU-UHFFFAOYSA-N
SMILES:
O=C(N(S(=O)(=O)c1cc(Cl)c(cc1F)F)c1cscn1)OC(C)(C)C
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.997g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.835g/mol
Monoisotopic Mass:
409.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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