AG0000GV

Name: 3-Chloro-5-tert-butylbenzoic acid
Brand: Angene Chemical
SKU: AG0000GV

1000341-32-1 | 3-Chloro-5-tert-butylbenzoic acid

AG0000GV

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CAS Number	1000341-32-1
Catalog Number	AG0000GV(AGN-PC-04Q6AJ)
Chemical Name	3-Chloro-5-tert-butylbenzoic acid
IUPAC Name	3-tert-butyl-5-chlorobenzoic acid
InChI	InChI=1S/C11H13ClO2/c1-11(2,3)8-4-7(10(13)14)5-9(12)6-8/h4-6H,1-3H3,(H,13,14)
InChI Key	XMGFILMCFURRSS-UHFFFAOYSA-N
MDL Number	MFCD09880197
Molecular Formula	C11H13ClO2
Molecular Weight	212.6727
SMILES	Clc1cc(cc(c1)C(C)(C)C)C(=O)O
Synonyms	1000341-32-1, 3-Chloro-5-tert-butylbenzoic acid, 3-(tert-Butyl)-5-chlorobenzoic acid, DTXSID00646942, 3-tert-butyl-5-chlorobenzoic acid, ZINC42689522, W-1078, Benzoic acid, 3-chloro-5-(1,1-dimethylethyl)-,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.06g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.673g/mol
Monoisotopic Mass	212.06g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited