methyl 3-nitro-5-[(1,3-thiazol-2-yl)carbamoyl]benzoate

methyl 3-nitro-5-[(1,3-thiazol-2-yl)carbamoyl]benzoate

Formula: C12H9N3O5S

SMILES: COC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)C(=O)NC1=NC=CS1

IUPAC: methyl 3-nitro-5-[(1,3-thiazol-2-yl)carbamoyl]benzoate

InChI: InChI=1S/C12H9N3O5S/c1-20-11(17)8-4-7(5-9(6-8)15(18)19)10(16)14-12-13-2-3-21-12/h2-6H,1H3,(H,13,14,16)

Composition: C (46.91%), H (2.95%), N (13.68%), O (26.03%), S (10.43%)

Molar Mass: 307.28

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	307.026291576
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VOKUUBLCYXZVFG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.62
Topological Polar Surface Area	111.43
Polarizability	27.24
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H9N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00