4-chloro-3-nitrobenzaldehyde

4-chloro-3-nitrobenzaldehyde

CAS: 16588-34-4

Formula: C7H4ClNO3

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

IUPAC: 4-chloro-3-nitrobenzaldehyde

InChI: InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/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	HETBKLHJEWXWBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.77
Topological Polar Surface Area	60.21
Polarizability	16.13
Ring Count	1
Rotatable Bond Count	2

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