2-(2,4-dichlorophenyl)butanedioic acid

2-(2,4-dichlorophenyl)butanedioic acid

CAS: 103754-45-6

Formula: C10H8Cl2O4

SMILES: OC(=O)CC(C(O)=O)C1=CC=C(Cl)C=C1Cl

IUPAC: 2-(2,4-dichlorophenyl)butanedioic acid

InChI: InChI=1/C10H8Cl2O4/c11-5-1-2-6(8(12)3-5)7(10(15)16)4-9(13)14/h1-3,7H,4H2,(H,13,14)(H,15,16)

Composition: C (45.66%), H (3.07%), Cl (26.95%), O (24.33%)

Molar Mass: 263.07

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	261.9799641
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SUQQTPHUAHBHIF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.82
Topological Polar Surface Area	74.6
Polarizability	22.69
Ring Count	1
Rotatable Bond Count	4

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