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Home > Nitro Compounds > 200422-12-4
200422-12-4 | 4-Morpholinecarboxamide, N-(3-nitrophenyl)-
CAS No: 200422-12-4 Catalog No: AG00I3QH MDL No:MFCD00023333
Product Description
Catalog Number:
AG00I3QH
Chemical Name:
4-Morpholinecarboxamide, N-(3-nitrophenyl)-
CAS Number:
200422-12-4
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
MDL Number:
MFCD00023333
IUPAC Name:
N-(3-nitrophenyl)morpholine-4-carboxamide
InChI:
InChI=1S/C11H13N3O4/c15-11(13-4-6-18-7-5-13)12-9-2-1-3-10(8-9)14(16)17/h1-3,8H,4-7H2,(H,12,15)
InChI Key:
QRSMQQFYGBYQMQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCOCC1)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.242g/mol
Monoisotopic Mass:
251.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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