5-(2-nitrophenoxymethyl)furan-2-carbaldehyde

5-(2-nitrophenoxymethyl)furan-2-carbaldehyde

CAS: 438221-76-2

Formula: C12H9NO5

SMILES: [O-][N+](=O)C1=CC=CC=C1OCC1=CC=C(O1)C=O

IUPAC: 5-[(2-nitrophenoxy)methyl]furan-2-carbaldehyde

InChI: InChI=1S/C12H9NO5/c14-7-9-5-6-10(18-9)8-17-12-4-2-1-3-11(12)13(15)16/h1-7H,8H2

Composition: C (58.30%), H (3.67%), N (5.67%), O (32.36%)

Molar Mass: 247.206

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	247.048072394
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DHEVJPAINBNBGZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.31
Topological Polar Surface Area	82.58
Polarizability	23.17
Ring Count	2
Rotatable Bond Count	5

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