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Home > Nitro Compounds > 144163-97-3
144163-97-3 | Carbonic acid, 4-nitrophenyl 5-thiazolylmethyl ester
CAS No: 144163-97-3 Catalog No: AG001J1B MDL No:MFCD09750981
Product Description
Catalog Number:
AG001J1B
Chemical Name:
Carbonic acid, 4-nitrophenyl 5-thiazolylmethyl ester
CAS Number:
144163-97-3
Molecular Formula:
C11H8N2O5S
Molecular Weight:
280.2566
MDL Number:
MFCD09750981
IUPAC Name:
(4-nitrophenyl) 1,3-thiazol-5-ylmethyl carbonate
InChI:
InChI=1S/C11H8N2O5S/c14-11(17-6-10-5-12-7-19-10)18-9-3-1-8(2-4-9)13(15)16/h1-5,7H,6H2
InChI Key:
FTEKBGGQRNJIPQ-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OCc1cncs1
EC Number:
680-587-3
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.254g/mol
Monoisotopic Mass:
280.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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