2-chloro-4-nitrobenzaldehyde

2-chloro-4-nitrobenzaldehyde

CAS: 5568-33-2

Formula: C7H4ClNO3

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

IUPAC: 2-chloro-4-nitrobenzaldehyde

InChI: InChI=1S/C7H4ClNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H

Composition: C (45.31%), H (2.17%), Cl (19.10%), N (7.55%), O (25.87%)

Molar Mass: 185.56

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.9879707
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GVBXZIANHMNKAK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.77
Topological Polar Surface Area	60.21
Polarizability	16.11
Ring Count	1
Rotatable Bond Count	2

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