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89660-16-2 | Carbamic acid, (6-chloro-2-nitro-3-pyridinyl)-, ethyl ester
CAS No: 89660-16-2 Catalog No: AG0043UK MDL No:MFCD25968533
Product Description
Catalog Number:
AG0043UK
Chemical Name:
Carbamic acid, (6-chloro-2-nitro-3-pyridinyl)-, ethyl ester
CAS Number:
89660-16-2
Molecular Formula:
C8H8ClN3O4
Molecular Weight:
245.6198
MDL Number:
MFCD25968533
IUPAC Name:
ethyl N-(6-chloro-2-nitropyridin-3-yl)carbamate
InChI:
InChI=1S/C8H8ClN3O4/c1-2-16-8(13)10-5-3-4-6(9)11-7(5)12(14)15/h3-4H,2H2,1H3,(H,10,13)
InChI Key:
SGTRCPLBAVBGBK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nc(Cl)ccc1NC(=O)OCC
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.619g/mol
Monoisotopic Mass:
245.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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