AG000PBQ

1196155-68-6 | 3-Quinolinecarboxaldehyde, 6-broMo-

AG000PBQ

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CAS Number	1196155-68-6
Catalog Number	AG000PBQ(AGN-PC-09SUAJ)
Chemical Name	3-Quinolinecarboxaldehyde, 6-broMo-
IUPAC Name	6-bromoquinoline-3-carbaldehyde
InChI	InChI=1S/C10H6BrNO/c11-9-1-2-10-8(4-9)3-7(6-13)5-12-10/h1-6H
InChI Key	PCHCYMZZDAUVQB-UHFFFAOYSA-N
MDL Number	MFCD13190233
Molecular Formula	C10H6BrNO
Molecular Weight	236.0647
SMILES	O=CC1=CC2=CC(Br)=CC=C2N=C1
Synonyms	6-Bromoquinoline-3-carbaldehyde, 1196155-68-6, 3-Quinolinecarboxaldehyde, 6-bromo-, SCHEMBL9302, 6-Bromo-quinoline-3-carbaldehyde, DTXSID40703467, PCHCYMZZDAUVQB-UHFFFAOYSA-N, 3-Quinolinecarboxaldehyde,6-bromo-, 3387AA, MFCD13190233, RW3139, ZINC82331841, AKOS016011750, AB70021, FCH1381432, QC-2705, AK123439, AS-49523, AJ-125177, AX8247617, C10H6BrNO, 6155-68-6,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.963g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.068g/mol
Monoisotopic Mass	234.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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