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Home > Nitro Compounds > 58758-40-0
58758-40-0 | 2-(4-methylphenyl)-6-nitro-1,3-benzoxazole
CAS No: 58758-40-0 Catalog No: AG00JIYC MDL No:MFCD03899207
Product Description
Catalog Number:
AG00JIYC
Chemical Name:
2-(4-methylphenyl)-6-nitro-1,3-benzoxazole
CAS Number:
58758-40-0
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
MDL Number:
MFCD03899207
IUPAC Name:
2-(4-methylphenyl)-6-nitro-1,3-benzoxazole
InChI:
InChI=1S/C14H10N2O3/c1-9-2-4-10(5-3-9)14-15-12-7-6-11(16(17)18)8-13(12)19-14/h2-8H,1H3
InChI Key:
SDPFCLFHQUIROK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2c(o1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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