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Home > Nitro Compounds > 63982-51-4
63982-51-4 | N-Methylcarbamic acid 2,4-dinitro-1-naphtyl ester
CAS No: 63982-51-4 Catalog No: AG00F6KT MDL No:
Product Description
Catalog Number:
AG00F6KT
Chemical Name:
N-Methylcarbamic acid 2,4-dinitro-1-naphtyl ester
CAS Number:
63982-51-4
IUPAC Name:
(2,4-dinitronaphthalen-1-yl) N-methylcarbamate
InChI:
InChI=1S/C12H9N3O6/c1-13-12(16)21-11-8-5-3-2-4-7(8)9(14(17)18)6-10(11)15(19)20/h2-6H,1H3,(H,13,16)
InChI Key:
NKULZUFWPVMHTQ-UHFFFAOYSA-N
NSC Number:
127877
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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