bis(methyl 2-amino-4-nitrobenzoate)

bis(methyl 2-amino-4-nitrobenzoate)

CAS: 3558-19-8

Formula: C16H16N4O8

SMILES: COC(=O)C1=C(N)C=C(C=C1)[N+]([O-])=O.COC(=O)C1=C(N)C=C(C=C1)[N+]([O-])=O

IUPAC: bis(methyl 2-amino-4-nitrobenzoate)

InChI: InChI=1S/2C8H8N2O4/c21-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h22-4H,9H2,1H3

Composition: C (48.98%), H (4.11%), N (14.28%), O (32.62%)

Molar Mass: 392.324

Atom Count: 44

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	392.096813491
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YQOIVHZATOTJOF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.1
Topological Polar Surface Area	95.46
Polarizability	17.87
Ring Count	2
Rotatable Bond Count	6

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95%	<5 Days	3558-19-8		$1,860.00-$2,640.00$1,860.00$2,120.00$2,640.00