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Home > Chemistry > Organic Building Blocks > Sulfides > 2-((Difluoromethyl)thio)benzoic acid

AC34284

79676-56-5 | 2-((Difluoromethyl)thio)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price	Quantity
250mg		in stock	$25.00	$18.00	- +
1g		in stock	$57.00	$40.00	- +

*All products are for research use only and not intended for human or animal use.

*All prices are in USD.

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Description

Catalog Number:	AC34284
Chemical Name:	2-((Difluoromethyl)thio)benzoic acid
CAS Number:	79676-56-5
Molecular Formula:	C8H6F2O2S
Molecular Weight:	204.1938
MDL Number:	MFCD01631518
SMILES:	FC(Sc1ccccc1C(=O)O)F

Computed Properties

Complexity:	187
Covalently-Bonded Unit Count:	1
Heavy Atom Count:	13

Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Rotatable Bond Count:	3
XLogP3:	2.9

Literature

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

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