Name: Name:Benzoic acid, 3,5-dichloro-2-hydroxy-, methyl ester
Brand: Angene
SKU: AG005SBQ
Rating: 90 (10 reviews)

Benzoic acid, 3,5-dichloro-2-hydroxy-, methyl ester

CAS No.:

7606-87-3

Catalog Number:

AG005SBQ

Molecular Formula:

C8H6Cl2O3

Molecular Weight:

221.0374

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG005SBQ

Chemical Name:

Benzoic acid, 3,5-dichloro-2-hydroxy-, methyl ester

CAS Number:

7606-87-3

Molecular Formula:

C8H6Cl2O3

Molecular Weight:

221.0374

MDL Number:

MFCD00464939

IUPAC Name:

methyl 3,5-dichloro-2-hydroxybenzoate

InChI:

InChI=1S/C8H6Cl2O3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3

InChI Key:

WFPHSUSTKMYQDI-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(Cl)cc(c1O)Cl

Properties

Complexity:

198

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.033g/mol

Monoisotopic Mass:

219.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties