AG01B512

Name: 3-bromo-5-(pyrrolidin-1-yl)benzoic acid
Brand: Angene Chemical
SKU: AG01B512

1500723-92-1 | 3-bromo-5-(pyrrolidin-1-yl)benzoic acid

AG01B512

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CAS Number	1500723-92-1
Catalog Number	AG01B512
Chemical Name	3-bromo-5-(pyrrolidin-1-yl)benzoic acid
IUPAC Name	3-bromo-5-pyrrolidin-1-ylbenzoic acid
InChI	InChI=1S/C11H12BrNO2/c12-9-5-8(11(14)15)6-10(7-9)13-3-1-2-4-13/h5-7H,1-4H2,(H,14,15)
InChI Key	KAVDWOADHNSCFV-UHFFFAOYSA-N
MDL Number	MFCD24125780
Molecular Formula	C11H12BrNO2
Molecular Weight	270.1225
SMILES	OC(C1=CC(N2CCCC2)=CC(Br)=C1)=O
Synonyms	3-bromo-5-(pyrrolidin-1-yl)benzoic acid, 1500723-92-1, AKOS020136622, ZINC133410615, Z2517219428,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.005g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	270.126g/mol
Monoisotopic Mass	269.005g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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