AG00II16

Name: 5-Bromo-2-(cyanomethyl)benzoic acid
Brand: Angene Chemical
SKU: AG00II16

942935-79-7 | 5-Bromo-2-(cyanomethyl)benzoic acid

AG00II16

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CAS Number	942935-79-7
Catalog Number	AG00II16(AGN-PC-0WOKS4)
Chemical Name	5-Bromo-2-(cyanomethyl)benzoic acid
IUPAC Name	5-bromo-2-(cyanomethyl)benzoic acid
InChI	InChI=1S/C9H6BrNO2/c10-7-2-1-6(3-4-11)8(5-7)9(12)13/h1-2,5H,3H2,(H,12,13)
InChI Key	VALHJXKXJMDQTK-UHFFFAOYSA-N
MDL Number	MFCD22491974
Molecular Formula	C9H6BrNO2
Molecular Weight	240.0534
SMILES	N#CCc1ccc(cc1C(=O)O)Br
Synonyms	5-bromo-2-(cyanomethyl)benzoic acid, 942935-79-7, SCHEMBL3968538, VALHJXKXJMDQTK-UHFFFAOYSA-N, 5-Bromo-2-cyanomethyl-benzoic acid, ZINC95495546, AKOS027253174, Benzoic acid, 5-bromo-2-(cyanomethyl)-, 5-Bromo-2-(cyanomethyl)benzoic acid, AldrichCPR,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.958g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.056g/mol
Monoisotopic Mass	238.958g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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