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Home > Nitro Compounds > 955963-40-3
955963-40-3 | 5-METHYL-1-NAPHTHALEN-1-YLMETHYL-3-NITRO-1H-PYRAZOLE
CAS No: 955963-40-3 Catalog No: AG01ANYA MDL No:MFCD04970014
Product Description
Catalog Number:
AG01ANYA
Chemical Name:
5-METHYL-1-NAPHTHALEN-1-YLMETHYL-3-NITRO-1H-PYRAZOLE
CAS Number:
955963-40-3
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD04970014
IUPAC Name:
5-methyl-1-(naphthalen-1-ylmethyl)-3-nitropyrazole
InChI:
InChI=1S/C15H13N3O2/c1-11-9-15(18(19)20)16-17(11)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-9H,10H2,1H3
InChI Key:
CNCDOTFEGRPTNH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(c(c1)C)Cc1cccc2c1cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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