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Home > Nitro Compounds > 63982-50-3
63982-50-3 | N-Methylcarbamic acid 1,6-dinitro-2-naphtyl ester
CAS No: 63982-50-3 Catalog No: AG00F6KS MDL No:
Product Description
Catalog Number:
AG00F6KS
Chemical Name:
N-Methylcarbamic acid 1,6-dinitro-2-naphtyl ester
CAS Number:
63982-50-3
IUPAC Name:
(1,6-dinitronaphthalen-2-yl) N-methylcarbamate
InChI:
InChI=1S/C12H9N3O6/c1-13-12(16)21-10-5-2-7-6-8(14(17)18)3-4-9(7)11(10)15(19)20/h2-6H,1H3,(H,13,16)
InChI Key:
JNUMKCKRNVODQZ-UHFFFAOYSA-N
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.049g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.219g/mol
Monoisotopic Mass:
291.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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