2-(carboxymethyl)-3-chlorobenzoic acid

2-(carboxymethyl)-3-chlorobenzoic acid

Formula: C9H7ClO4

SMILES: OC(=O)CC1=C(C=CC=C1Cl)C(O)=O

IUPAC: 2-(carboxymethyl)-3-chlorobenzoic acid

InChI: InChI=1S/C9H7ClO4/c10-7-3-1-2-5(9(13)14)6(7)4-8(11)12/h1-3H,4H2,(H,11,12)(H,13,14)

Composition: C (50.37%), H (3.29%), Cl (16.52%), O (29.82%)

Molar Mass: 214.6

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.0032864
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HARZEJOUACLTDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.43
Topological Polar Surface Area	74.6
Polarizability	18.89
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H7ClO4		Quote Only