5-(4-methyl-2-nitrophenyl)furan-2-carbaldehyde

5-(4-methyl-2-nitrophenyl)furan-2-carbaldehyde

CAS: 425645-31-4

Formula: C12H9NO4

SMILES: CC1=CC(=C(C=C1)C1=CC=C(O1)C=O)[N+]([O-])=O

IUPAC: 5-(4-methyl-2-nitrophenyl)furan-2-carbaldehyde

InChI: InChI=1S/C12H9NO4/c1-8-2-4-10(11(6-8)13(15)16)12-5-3-9(7-14)17-12/h2-7H,1H3

Composition: C (62.34%), H (3.92%), N (6.06%), O (27.68%)

Molar Mass: 231.207

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	231.053157774
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	UAAULAKHYRANRB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.41
Topological Polar Surface Area	73.35
Polarizability	23.69
Ring Count	2
Rotatable Bond Count	3

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