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Home > Nitro Compounds > 82998-95-6
82998-95-6 | 4,5-DIHYDRO-4,4-DIMETHYL-2-(3-NITROPHENYL)OXAZOLE
CAS No: 82998-95-6 Catalog No: AG00GPP9 MDL No:
Product Description
Catalog Number:
AG00GPP9
Chemical Name:
4,5-DIHYDRO-4,4-DIMETHYL-2-(3-NITROPHENYL)OXAZOLE
CAS Number:
82998-95-6
IUPAC Name:
4,4-dimethyl-2-(3-nitrophenyl)-5H-1,3-oxazole
InChI:
InChI=1S/C11H12N2O3/c1-11(2)7-16-10(12-11)8-4-3-5-9(6-8)13(14)15/h3-6H,7H2,1-2H3
InChI Key:
QIAYGYJTXPWMBQ-UHFFFAOYSA-N
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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