5-chloro-2-hydroxy-3-nitrobenzaldehyde

5-chloro-2-hydroxy-3-nitrobenzaldehyde

CAS: 16634-90-5

Formula: C7H4ClNO4

SMILES: OC1=C(C=C(Cl)C=C1C=O)[N+]([O-])=O

IUPAC: 5-chloro-2-hydroxy-3-nitrobenzaldehyde

InChI: InChI=1S/C7H4ClNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-3,11H

Composition: C (41.71%), H (2.00%), Cl (17.59%), N (6.95%), O (31.75%)

Molar Mass: 201.56

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.9828853
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YSDCZOBSHGDCCI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.75
Topological Polar Surface Area	80.44
Polarizability	16.79
Ring Count	1
Rotatable Bond Count	2

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