AG00BYQT

32863-33-5 | 1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE

AG00BYQT

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CAS Number	32863-33-5
Catalog Number	AG00BYQT(AGN-PC-0KKXFH)
Chemical Name	1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE
IUPAC Name	2,1,3-benzoxadiazole-5-carbaldehyde
InChI	InChI=1S/C7H4N2O2/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H
InChI Key	STVDCFOBQWMSHN-UHFFFAOYSA-N
MDL Number	MFCD01200350
Molecular Formula	C7H4N2O2
Molecular Weight	148.1189
SMILES	N=1ON=C2C1C=CC(=C2)C=O
Synonyms	32863-33-5, 2,1,3-benzoxadiazole-5-carbaldehyde, Benzo[c][1,2,5]oxadiazole-5-carbaldehyde, 2,1,3-Benzoxadiazole-5-carboxaldehyde, 5-Formylbenzofurazan, PubChem14542, AC1MCQV3, AC1Q6PWJ, benzofurazan-5-carboxaldehyde, SCHEMBL1525752, 5-Formyl-2,1,3-benzoxadiazole, CTK1C1845, DTXSID40379964, STVDCFOBQWMSHN-UHFFFAOYSA-N, ZINC158672, ALBB-009344, KS-00000L7J, MFCD01200350, STK500256, AKOS004911156, AS-9042, Benzo[2,1,3]oxadiazol-5-carbaldehyde, CS-W006513, MCULE-6454126252, RP01561, VZ20354, Benzo[1,2,5]oxadiazole-5-carbaldehyde, benzo[2,1,3]oxadiazole-5-carbaldehyde, AJ-15297, AK105513, SC-14152, ZB007014, AB1007538, TR-013790, BB 0261435, FT-0609008, Y8734, W-8108, 2,1,3-benzoxadiazole-5-carbaldehyde, AldrichCPR, 863B335, J-506701, I14-30228, 5-Benzofurazancarboxaldehyde (8CI); 5-Formyl-2,1,3-benzoxadiazole; 5-Formylbenzofurazan; Benzo[2,1,3]oxadiazole-5-carboxaldehyde, 1,2,3-Benzoxadiazole-5-Carbaldehyde, C7H4N2O2, ZINC00158672, CID2776296,

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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