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Home > Nitro Compounds > 245117-17-3
245117-17-3 | 4-(4-methyl-3-nitrophenyl)morpholine
CAS No: 245117-17-3 Catalog No: AG01BH5G MDL No:MFCD20483669
Product Description
Catalog Number:
AG01BH5G
Chemical Name:
4-(4-methyl-3-nitrophenyl)morpholine
CAS Number:
245117-17-3
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD20483669
IUPAC Name:
4-(4-methyl-3-nitrophenyl)morpholine
InChI:
InChI=1S/C11H14N2O3/c1-9-2-3-10(8-11(9)13(14)15)12-4-6-16-7-5-12/h2-3,8H,4-7H2,1H3
InChI Key:
CYMDJHMDVUTLRA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)N1CCOCC1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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