methyl 5-nitrothiophene-2-carboxylate

methyl 5-nitrothiophene-2-carboxylate

CAS: 1436143

Formula: C6H5NO4S

SMILES: COC(=O)C1=CC=C(S1)[N+]([O-])=O

IUPAC: methyl 5-nitrothiophene-2-carboxylate

InChI: InChI=1S/C6H5NO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3

Composition: C (38.50%), H (2.69%), N (7.48%), O (34.19%), S (17.13%)

Molar Mass: 187.17

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.993928819
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ROZWUNOYMSUTKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.45
Topological Polar Surface Area	69.44
Polarizability	15.57
Ring Count	1
Rotatable Bond Count	3

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