AG0001RE

Name: 3-(4-Bromophenyl)-3-cyanopropanoic acid
Brand: Angene Chemical
SKU: AG0001RE

1003707-16-1 | 3-(4-Bromophenyl)-3-cyanopropanoic acid

AG0001RE

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CAS Number	1003707-16-1
Catalog Number	AG0001RE(AGN-PC-00PGKZ)
Chemical Name	3-(4-Bromophenyl)-3-cyanopropanoic acid
IUPAC Name	3-(4-bromophenyl)-3-cyanopropanoic acid
InChI	InChI=1S/C10H8BrNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5H2,(H,13,14)
InChI Key	AYOMFJWRKMHFBL-UHFFFAOYSA-N
MDL Number	MFCD09955623
Molecular Formula	C10H8BrNO2
Molecular Weight	254.0800
SMILES	N#CC(c1ccc(cc1)Br)CC(=O)O
Synonyms	3-(4-BROMOPHENYL)-3-CYANOPROPANOIC ACID, 1003707-16-1, ACMC-2097ph, SCHEMBL17144644, CTK3J8859, DTXSID80573388, ANW-14259, MFCD09955623, AKOS022366351, beta-Cyano-4-bromobenzenepropionic acid, Benzenepropanoic acid, 4-bromo-beta-cyano-, TC-103004, B-9105, F2147-2487,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.974g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.083g/mol
Monoisotopic Mass	252.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	1
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