AG0031X7

31009-04-8 | 4-Quinolinecarboxylic acid, 7-bromo-

AG0031X7

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CAS Number	31009-04-8
Catalog Number	AG0031X7(AGN-PC-01WKHG)
Chemical Name	4-Quinolinecarboxylic acid, 7-bromo-
IUPAC Name	7-bromoquinoline-4-carboxylic acid
InChI	InChI=1S/C10H6BrNO2/c11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6/h1-5H,(H,13,14)
InChI Key	ZIFXOUMGHUOZED-UHFFFAOYSA-N
MDL Number	MFCD11108751
Molecular Formula	C10H6BrNO2
Molecular Weight	252.0641
SMILES	OC(=O)C1=CC=NC2=C1C=CC(Br)=C2
Synonyms	7-BROMOQUINOLINE-4-CARBOXYLIC ACID, 31009-04-8, 4-Quinolinecarboxylic acid, 7-bromo-, AK100842, SCHEMBL7374970, CTK8C3259, KS-00000QVO, DTXSID60594218, 3298AB, ANW-69878, MFCD11108751, ZINC26475328, AKOS016001601, DS-3630, FCH1402477, AJ-82451, SC-36554, AB0048523, AX8241755, TC-158623, ST24024500, C10H6BrNO2,

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	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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