3-chloro-5-formylbenzoic acid

3-chloro-5-formylbenzoic acid

CAS: 153203-59-9

Formula: C8H5ClO3

SMILES: OC(=O)C1=CC(C=O)=CC(Cl)=C1

IUPAC: 3-chloro-5-formylbenzoic acid

InChI: InChI=1S/C8H5ClO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4H,(H,11,12)

Composition: C (52.06%), H (2.73%), Cl (19.21%), O (26.00%)

Molar Mass: 184.58

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	183.9927217
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LWVHCYUHVMWJLJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.7
Topological Polar Surface Area	54.37
Polarizability	16.53
Ring Count	1
Rotatable Bond Count	2

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