Catalog No.:AA00FAEV

682805-12-5 | 2-Chloro-5-(trifluoromethyl)cinnamic acid

Name: Name:2-Chloro-5-(trifluoromethyl)cinnamic acid
Brand: AABLOCKS
SKU: AA00FAEV
Rating: 90 (10 reviews)

Pack Size

Purity

Availability

Price(USD)

Quantity

98%

in stock

$75.00 $53.00

- +

98%

in stock

$258.00 $180.00

- +

10g

98%

in stock

$456.00 $319.00

- +

25g

98%

in stock

$774.00 $542.00

Technical Information
Properties
Literature
Request for Quotation
Download SDS

Technical Information

Catalog Number:

AA00FAEV

Chemical Name:

2-Chloro-5-(trifluoromethyl)cinnamic acid

CAS Number:

682805-12-5

Molecular Formula:

C10H6ClF3O2

Molecular Weight:

250.6016

MDL Number:

MFCD03002852

SMILES:

OC(=O)/C=C/c1cc(ccc1Cl)C(F)(F)F

Properties

Computed Properties

Complexity:

288

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:682805-12-5 Molecular Formula|682805-12-5 MDL|682805-12-5 SMILES|682805-12-5 2-Chloro-5-(trifluoromethyl)cinnamic acid

Catalog No.: AA00FAEV

682805-12-5 | 2-Chloro-5-(trifluoromethyl)cinnamic acid

Pack Size： 1g

Purity： 98%

in stock

$75.00 $53.00

Pack Size： 5g

Purity： 98%

in stock

$258.00 $180.00

Pack Size： 10g

Purity： 98%

in stock

$456.00 $319.00

Pack Size： 25g

Purity： 98%

in stock

$774.00 $542.00

Quantity

- +

Add to Card

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Technical Information

Catalog Number: AA00FAEV

Chemical Name: 2-Chloro-5-(trifluoromethyl)cinnamic acid

CAS Number: 682805-12-5

Molecular Formula: C10H6ClF3O2

Molecular Weight: 250.6016

MDL Number: MFCD03002852

SMILES: OC(=O)/C=C/c1cc(ccc1Cl)C(F)(F)F

Properties

Complexity: 288

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 1

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.4

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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Submit