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Home > Nitro Compounds > 951923-68-5
951923-68-5 | 3,5-dimethyl-4-[(4-nitrophenoxy)methyl]isoxazole
CAS No: 951923-68-5 Catalog No: AG00JDUC MDL No:MFCD10485467
Product Description
Catalog Number:
AG00JDUC
Chemical Name:
3,5-dimethyl-4-[(4-nitrophenoxy)methyl]isoxazole
CAS Number:
951923-68-5
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
MDL Number:
MFCD10485467
IUPAC Name:
3,5-dimethyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole
InChI:
InChI=1S/C12H12N2O4/c1-8-12(9(2)18-13-8)7-17-11-5-3-10(4-6-11)14(15)16/h3-6H,7H2,1-2H3
InChI Key:
PLTZVEHLSDYCCQ-UHFFFAOYSA-N
SMILES:
Cc1onc(c1COc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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