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Home > Nitro Compounds > 1245648-38-7
1245648-38-7 | Carbamic acid, N-methyl-N-(4-nitro-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1245648-38-7 Catalog No: AG000MCL MDL No:
Product Description
Catalog Number:
AG000MCL
Chemical Name:
Carbamic acid, N-methyl-N-(4-nitro-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1245648-38-7
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
IUPAC Name:
tert-butyl N-methyl-N-(4-nitropyridin-2-yl)carbamate
InChI:
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(15)13(4)9-7-8(14(16)17)5-6-12-9/h5-7H,1-4H3
InChI Key:
CPOCSJGZXVGERP-UHFFFAOYSA-N
SMILES:
CN(c1nccc(c1)[N+](=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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