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Home > Nitro Compounds > 400877-61-4
400877-61-4 | 1-(1-NAPHTHYLMETHYL)-4-NITRO-1H-PYRAZOLE
CAS No: 400877-61-4 Catalog No: AG01AO1H MDL No:MFCD03087889
Product Description
Catalog Number:
AG01AO1H
Chemical Name:
1-(1-NAPHTHYLMETHYL)-4-NITRO-1H-PYRAZOLE
CAS Number:
400877-61-4
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD03087889
IUPAC Name:
1-(naphthalen-1-ylmethyl)-4-nitropyrazole
InChI:
InChI=1S/C14H11N3O2/c18-17(19)13-8-15-16(10-13)9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10H,9H2
InChI Key:
AABOXLKGXNPRIR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)Cc1cccc2c1cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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