AG00EAF3

62667-25-8 | 2-​Benzoxazolecarboxald​ehyde

AG00EAF3

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CAS Number	62667-25-8
Catalog Number	AG00EAF3(AGN-PC-0LBXPT)
Chemical Name	2-​Benzoxazolecarboxald​ehyde
IUPAC Name	1,3-benzoxazole-2-carbaldehyde
InChI	InChI=1S/C8H5NO2/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-5H
InChI Key	RXXZBZOUCQAOSC-UHFFFAOYSA-N
MDL Number	MFCD03412586
Molecular Formula	C8H5NO2
Molecular Weight	147.1308
SMILES	C(=O)c1nc2c(o1)cccc2
Synonyms	Benzooxazole-2-carbaldehyde, 62667-25-8, Benzo[d]oxazole-2-carbaldehyde, 1,3-benzoxazole-2-carbaldehyde, 2-Benzoxazolecarboxaldehyde, benzoxazolecarbaldehyde, AC1NAVMT, benzoxazol-2-carbaldehyde, Benzoxazole-2-carbaldehyde, AC1Q6PZ4, Benzoxazole-2-carboxaldehyde, SCHEMBL223564, CTK2F2555, DTXSID50403648, 1,3-benzoxazole-2-carboxaldehyde, RXXZBZOUCQAOSC-UHFFFAOYSA-N, ZINC2530177, ANW-72298, MFCD03412586, AKOS002688057, DS-2618, KS-000024P6, AJ-38485, SC-51500, ST2406649, TC-161043, 4CH-017303, FT-0686554, A833916, CID4483393,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.032g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.133g/mol
Monoisotopic Mass	147.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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

Lot Number