AG003KXI

1099609-12-7 | 4-Bromo-2-pyrrolidinobenzoic Acid

AG003KXI

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1099609-12-7
Catalog Number	AG003KXI(AGN-PC-06L5JD)
Chemical Name	4-Bromo-2-pyrrolidinobenzoic Acid
IUPAC Name	4-bromo-2-pyrrolidin-1-ylbenzoic acid
InChI	InChI=1S/C11H12BrNO2/c12-8-3-4-9(11(14)15)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key	ORZPPTXFHUEWRN-UHFFFAOYSA-N
MDL Number	MFCD11651817
Molecular Formula	C11H12BrNO2
Molecular Weight	270.1225
SMILES	OC(=O)C1=CC=C(Br)C=C1N1CCCC1
Synonyms	4-Bromo-2-pyrrolidinobenzoic Acid, 1099609-12-7, 4-Bromo-2-(pyrrolidin-1-yl)benzoic acid, 4-Bromo-2-pyrrolidinobenzoicAcid, 4-BROMO-2-(1-PYRROLIDINYL)BENZOIC ACID, CTK8E1803, KS-00000CJG, 6116AJ, MFCD11651817, ZINC36670460, AKOS009392652, TRA0009467, AJ-93286, AS-32471, SY006920, AB0065457, DB-059954, TC-307652, FT-0735574, Z-4003, MFCD11651817 (95+%), C11H12BrNO2, 15723-90-7,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number