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Home > Nitro Compounds > 845729-40-0

845729-40-0

845729-40-0 | 4-(2-methyl-4-nitrophenyl)morpholin-3-one

CAS No: 845729-40-0 Catalog No: AG01BILG MDL No:MFCD27938917

Product Description

Catalog Number:
AG01BILG
Chemical Name:
4-(2-methyl-4-nitrophenyl)morpholin-3-one
CAS Number:
845729-40-0
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
MDL Number:
MFCD27938917
IUPAC Name:
4-(2-methyl-4-nitrophenyl)morpholin-3-one
InChI:
InChI=1S/C11H12N2O4/c1-8-6-9(13(15)16)2-3-10(8)12-4-5-17-7-11(12)14/h2-3,6H,4-5,7H2,1H3
InChI Key:
WZHAJQYICHZCDZ-UHFFFAOYSA-N
SMILES:
O=C1COCCN1c1ccc(cc1C)[N+](=O)[O-]

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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