4-nitrothiophene-2-carbaldehyde

4-nitrothiophene-2-carbaldehyde

CAS: 57500-53-5

Formula: C5H3NO3S

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

IUPAC: 4-nitrothiophene-2-carbaldehyde

InChI: InChI=1S/C5H3NO3S/c7-2-5-1-4(3-10-5)6(8)9/h1-3H

Composition: C (38.22%), H (1.92%), N (8.91%), O (30.54%), S (20.40%)

Molar Mass: 157.14

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	156.983364135
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YVNHJYYUGAEESI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.85
Topological Polar Surface Area	60.21
Polarizability	12.98
Ring Count	1
Rotatable Bond Count	2

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