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90096-94-9 | Urea, (1-methyl-2-pyrrolidinylidene)[2-(4-nitrophenyl)ethenyl]-
CAS No: 90096-94-9 Catalog No: AG00H7SG MDL No:
Product Description
Catalog Number:
AG00H7SG
Chemical Name:
Urea, (1-methyl-2-pyrrolidinylidene)[2-(4-nitrophenyl)ethenyl]-
CAS Number:
90096-94-9
Molecular Formula:
C14H16N4O3
Molecular Weight:
288.3018
IUPAC Name:
1-(1-methylpyrrolidin-2-ylidene)-3-[2-(4-nitrophenyl)ethenyl]urea
InChI:
InChI=1S/C14H16N4O3/c1-17-10-2-3-13(17)16-14(19)15-9-8-11-4-6-12(7-5-11)18(20)21/h4-9H,2-3,10H2,1H3,(H,15,19)
InChI Key:
SWNAXLWKZYIDLE-UHFFFAOYSA-N
SMILES:
O=C(N=C1CCCN1C)NC=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.307g/mol
Monoisotopic Mass:
288.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.5
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