AG003KSI

32863-32-4 | 4-Formyl-2,1,3-benzoxadiazole

AG003KSI

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CAS Number	32863-32-4
Catalog Number	AG003KSI(AGN-PC-0N209P)
Chemical Name	4-Formyl-2,1,3-benzoxadiazole
IUPAC Name	2,1,3-benzoxadiazole-4-carbaldehyde
InChI	InChI=1S/C7H4N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H
InChI Key	YBBRQAXNTWMMFZ-UHFFFAOYSA-N
MDL Number	MFCD07772900
Molecular Formula	C7H4N2O2
Molecular Weight	148.1189
SMILES	O=CC1=CC=CC2=NON=C21
Synonyms	32863-32-4, 4-Benzofurazancarboxaldehyde, 2,1,3-benzoxadiazole-4-carbaldehyde, benzo[c][1,2,5]oxadiazole-4-carbaldehyde, 4-FORMYL-2,1,3-BENZOXADIAZOLE, 2,1,3-benzoxadiazole-4-carboxaldehyde, 4-Formylbenzofurazan, 2,1,3-benzoxadiazole-4-aldehyde, KSC221S1F, 4-Benzofurazone Carboxaldehyde, SCHEMBL4099455, CTK1C1912, DTXSID90437821, YBBRQAXNTWMMFZ-UHFFFAOYSA-N, 2.1.3-benzoxadiazole-4-aldehyde, ALBB-012814, benzo[1,2,5]oxadiazole-4-aldehyde, 2,1,3-Benzoxadiazol-4-carbaldehyde, ANW-47105, MFCD07772900, STK891496, ZINC19088483, AKOS005173902, CB-1349, MCULE-1196891161, RP21199, RTC-063940, TRA0054878, 112GI011, AC-26236, AJ-70988, AK-25133, BC220159, CJ-15952, DS-10636, SC-19461, SY003729, AB0024233, AB1001718, DB-004721, TC-063940, FT-0648903, ST24043760, W5458, 4-FORMYL-BENZO[C][1,2,5]OXADIAZOLE, K-7605, MFCD07772900 (97+%), 863B324, A821469, J-515435, I14-17487, null, Not Available, C7H4N2O2, CID10290873, B4928, 2,1,3-Benzoxadiazole-4-carboxaldehyde (9CI), 8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene-2-carbaldehyde,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.027g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.121g/mol
Monoisotopic Mass	148.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	56A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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