Text Search
Structure Search

3-nitro-4-(phenylamino)benzoic acid

3-nitro-4-(phenylamino)benzoic acid

Formula: C13H10N2O4

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

IUPAC: 3-nitro-4-(phenylamino)benzoic acid

InChI: InChI=1S/C13H10N2O4/c16-13(17)9-6-7-11(12(8-9)15(18)19)14-10-4-2-1-3-5-10/h1-8,14H,(H,16,17)

Composition: C (60.47%), H (3.90%), N (10.85%), O (24.78%)

Molar Mass: 258.233

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 258.06405681
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey UGUUCNPLYAGMNG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.12
Topological Polar Surface Area 92.47
Polarizability 25.29
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C13H10N2O4 Quote Only