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1017782-13-6 | Carbamic acid, N-(6-chloro-3-nitro-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1017782-13-6 Catalog No: AG0005JP MDL No:MFCD09997890
Product Description
Catalog Number:
AG0005JP
Chemical Name:
Carbamic acid, N-(6-chloro-3-nitro-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1017782-13-6
Molecular Formula:
C10H12ClN3O4
Molecular Weight:
273.6730
MDL Number:
MFCD09997890
IUPAC Name:
tert-butyl N-(6-chloro-3-nitropyridin-2-yl)carbamate
InChI:
InChI=1S/C10H12ClN3O4/c1-10(2,3)18-9(15)13-8-6(14(16)17)4-5-7(11)12-8/h4-5H,1-3H3,(H,12,13,15)
InChI Key:
PVLBDPVLUGVJJF-UHFFFAOYSA-N
SMILES:
O=C(Nc1nc(Cl)ccc1[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.673g/mol
Monoisotopic Mass:
273.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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