2-(2,4-dinitrophenyl)butanoic acid

2-(2,4-dinitrophenyl)butanoic acid

CAS: 1418117-86-8

Formula: C10H10N2O6

SMILES: CCC(C(O)=O)C1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

IUPAC: 2-(2,4-dinitrophenyl)butanoic acid

InChI: InChI=1/C10H10N2O6/c1-2-7(10(13)14)8-4-3-6(11(15)16)5-9(8)12(17)18/h3-5,7H,2H2,1H3,(H,13,14)

Composition: C (47.25%), H (3.97%), N (11.02%), O (37.76%)

Molar Mass: 254.198

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	254.05388605
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	HCGPXJPXFRMKMP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.18
Topological Polar Surface Area	123.58
Polarizability	22.17
Ring Count	1
Rotatable Bond Count	5

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