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169178-80-7 | Naphthalene, 1-methoxy-4-(trinitromethyl)-
CAS No: 169178-80-7 Catalog No: AG001YIV MDL No:
Product Description
Catalog Number:
AG001YIV
Chemical Name:
Naphthalene, 1-methoxy-4-(trinitromethyl)-
CAS Number:
169178-80-7
Molecular Formula:
C12H9N3O7
Molecular Weight:
307.2158
IUPAC Name:
1-methoxy-4-(trinitromethyl)naphthalene
InChI:
InChI=1S/C12H9N3O7/c1-22-11-7-6-10(8-4-2-3-5-9(8)11)12(13(16)17,14(18)19)15(20)21/h2-7H,1H3
InChI Key:
IBVNCJOBVLTGGZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1cccc2)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.218g/mol
Monoisotopic Mass:
307.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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