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Home > Nitro Compounds > 1172621-13-4
1172621-13-4 | 3-(2-methyl-5-nitrophenyl)-1,3-oxazolidin-2-one
CAS No: 1172621-13-4 Catalog No: AG019S8J MDL No:MFCD20502005
Product Description
Catalog Number:
AG019S8J
Chemical Name:
3-(2-methyl-5-nitrophenyl)-1,3-oxazolidin-2-one
CAS Number:
1172621-13-4
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD20502005
IUPAC Name:
3-(2-methyl-5-nitrophenyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C10H10N2O4/c1-7-2-3-8(12(14)15)6-9(7)11-4-5-16-10(11)13/h2-3,6H,4-5H2,1H3
InChI Key:
AHLSIJYTTLZBJB-UHFFFAOYSA-N
SMILES:
O=C1OCCN1c1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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