AG00I31E

Name: Benzoic acid, 3-borono-5-(1,1-dimethylethyl)-, 1-methyl ester
Brand: Angene Chemical
SKU: AG00I31E

193905-91-8 | Benzoic acid, 3-borono-5-(1,1-dimethylethyl)-, 1-methyl ester

AG00I31E

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CAS Number	193905-91-8
Catalog Number	AG00I31E(AGN-PC-0QMG7A)
Chemical Name	Benzoic acid, 3-borono-5-(1,1-dimethylethyl)-, 1-methyl ester
IUPAC Name	(3-tert-butyl-5-methoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C12H17BO4/c1-12(2,3)9-5-8(11(14)17-4)6-10(7-9)13(15)16/h5-7,15-16H,1-4H3
InChI Key	ZZOYTJILBZJPGA-UHFFFAOYSA-N
MDL Number	MFCD23380359
Molecular Formula	C12H17BO4
Molecular Weight	236.0720
SMILES	COC(=O)c1cc(cc(c1)C(C)(C)C)B(O)O
Synonyms	benzoic acid, 3-borono-5-(1,1-dimethylethyl)-, 1-methyl ester, 193905-91-8, ZINC170010195,

Complexity	272
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.122g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.074g/mol
Monoisotopic Mass	236.122g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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