AG001O2E

1556231-57-2 | 3-Bromoquinoline-8-carbaldehyde

AG001O2E

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CAS Number	1556231-57-2
Catalog Number	AG001O2E(AGN-PC-0WCXSZ)
Chemical Name	3-Bromoquinoline-8-carbaldehyde
IUPAC Name	3-bromoquinoline-8-carbaldehyde
InChI	InChI=1S/C10H6BrNO/c11-9-4-7-2-1-3-8(6-13)10(7)12-5-9/h1-6H
InChI Key	AXABLSRVYDFNNR-UHFFFAOYSA-N
MDL Number	MFCD24253734
Molecular Formula	C10H6BrNO
Molecular Weight	236.0647
SMILES	O=CC1=C2N=CC(Br)=CC2=CC=C1
Synonyms	3-bromoquinoline-8-carbaldehyde, 1556231-57-2, 8-Quinolinecarboxaldehyde, 3-bromo-, MFCD24253734, AKOS020844331, ZINC134040845, AS-32829,

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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