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Home > Nitro Compounds > 147674-73-5
147674-73-5 | Carbonic acid, 2-(4-methyl-5-thiazolyl)ethyl 4-nitrophenyl ester
CAS No: 147674-73-5 Catalog No: AG001F2J MDL No:
Product Description
Catalog Number:
AG001F2J
Chemical Name:
Carbonic acid, 2-(4-methyl-5-thiazolyl)ethyl 4-nitrophenyl ester
CAS Number:
147674-73-5
Molecular Formula:
C13H12N2O5S
Molecular Weight:
308.3098
IUPAC Name:
2-(4-methyl-1,3-thiazol-5-yl)ethyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C13H12N2O5S/c1-9-12(21-8-14-9)6-7-19-13(16)20-11-4-2-10(3-5-11)15(17)18/h2-5,8H,6-7H2,1H3
InChI Key:
BKTBKFMJZHUKPL-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OCCc1scnc1C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.047g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.308g/mol
Monoisotopic Mass:
308.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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