AG009DE0

1344046-13-4 | 3-Bromoquinoline-7-carboxylic acid

AG009DE0

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CAS Number	1344046-13-4
Catalog Number	AG009DE0(AGN-PC-0WAHNK)
Chemical Name	3-Bromoquinoline-7-carboxylic acid
IUPAC Name	3-bromoquinoline-7-carboxylic acid
InChI	InChI=1S/C10H6BrNO2/c11-8-3-6-1-2-7(10(13)14)4-9(6)12-5-8/h1-5H,(H,13,14)
InChI Key	VHZHOJLAAXVYSL-UHFFFAOYSA-N
MDL Number	MFCD20327982
Molecular Formula	C10H6BrNO2
Molecular Weight	252.0641
SMILES	O=C(C1=CC=C2C=C(Br)C=NC2=C1)O
Synonyms	3-bromoquinoline-7-carboxylic acid, 1344046-13-4, SCHEMBL20572273, 3-bromoquinoline-7-carboxylicacid, DTXSID40858603, MFCD20327982, ZINC95616304, AKOS025146726, FCH1602652, QC-8350, AK164715, AS-32792, AB0091742, C-0157, 3-bromoquinoline-7-carboxylic acid, 95% - 1G 1g,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.958g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.067g/mol
Monoisotopic Mass	250.958g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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