(3,4-dinitrophenyl)methanol

(3,4-dinitrophenyl)methanol

CAS: 79544-31-3

Formula: C7H6N2O5

SMILES: OCC1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O

IUPAC: (3,4-dinitrophenyl)methanol

InChI: InChI=1S/C7H6N2O5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-3,10H,4H2

Composition: C (42.43%), H (3.05%), N (14.14%), O (40.37%)

Molar Mass: 198.134

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.027671301
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GALBVKDHQBDIJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.51
Topological Polar Surface Area	106.51
Polarizability	16.75
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	79544-31-3		$218.39-$459.54$218.39$459.54