1,3-bis(3-nitrophenyl)urea

1,3-bis(3-nitrophenyl)urea

CAS: 1234-21-5

Formula: C13H10N4O5

SMILES: [O-][N+](=O)C1=CC(NC(=O)NC2=CC=CC(=C2)[N+]([O-])=O)=CC=C1

IUPAC: 1,3-bis(3-nitrophenyl)urea

InChI: InChI=1S/C13H10N4O5/c18-13(14-9-3-1-5-11(7-9)16(19)20)15-10-4-2-6-12(8-10)17(21)22/h1-8H,(H2,14,15,18)

Composition: C (51.66%), H (3.34%), N (18.54%), O (26.47%)

Molar Mass: 302.246

Atom Count: 32

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	302.065119438
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	LMGCNSZBVIPYHM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.69
Topological Polar Surface Area	127.41
Polarizability	27.94
Ring Count	2
Rotatable Bond Count	4

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