ethyl 4-nitro-1H-pyrrole-2-carboxylate

ethyl 4-nitro-1H-pyrrole-2-carboxylate

CAS: 5930-92-7

Formula: C7H8N2O4

SMILES: CCOC(=O)C1=CC(=CN1)[N+]([O-])=O

IUPAC: ethyl 4-nitro-1H-pyrrole-2-carboxylate

InChI: InChI=1S/C7H8N2O4/c1-2-13-7(10)6-3-5(4-8-6)9(11)12/h3-4,8H,2H2,1H3

Composition: C (45.66%), H (4.38%), N (15.21%), O (34.75%)

Molar Mass: 184.151

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.048406746
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PEORWHVRWXGKMS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.79
Topological Polar Surface Area	85.23
Polarizability	16.34
Ring Count	1
Rotatable Bond Count	4

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