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Home > Nitro Compounds > 1033847-04-9
1033847-04-9 | 4-[2-nitro-4-(1H-pyrazol-5-yl)phenyl]morpholine
CAS No: 1033847-04-9 Catalog No: AG00IYV7 MDL No:MFCD08281890
Product Description
Catalog Number:
AG00IYV7
Chemical Name:
4-[2-nitro-4-(1H-pyrazol-5-yl)phenyl]morpholine
CAS Number:
1033847-04-9
Molecular Formula:
C13H14N4O3
Molecular Weight:
274.2753
MDL Number:
MFCD08281890
IUPAC Name:
4-[2-nitro-4-(1H-pyrazol-5-yl)phenyl]morpholine
InChI:
InChI=1S/C13H14N4O3/c18-17(19)13-9-10(11-3-4-14-15-11)1-2-12(13)16-5-7-20-8-6-16/h1-4,9H,5-8H2,(H,14,15)
InChI Key:
WHHZJNMYEYGRHF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCOCC1)c1ccn[nH]1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.28g/mol
Monoisotopic Mass:
274.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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