AG00345W

40874-54-2 | 5-(tert-Butyl)-2-methylbenzoxazole

AG00345W

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CAS Number	40874-54-2
Catalog Number	AG00345W(AGN-PC-0NJJJH)
Chemical Name	5-(tert-Butyl)-2-methylbenzoxazole
IUPAC Name	5-tert-butyl-2-methyl-1,3-benzoxazole
InChI	InChI=1S/C12H15NO/c1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8/h5-7H,1-4H3
InChI Key	MMUQIBNMAXABSM-UHFFFAOYSA-N
MDL Number	MFCD09027425
Molecular Formula	C12H15NO
Molecular Weight	189.2536
SMILES	CC1=NC2=CC(C(C)(C)C)=CC=C2O1
Synonyms	5-(tert-Butyl)-2-methylbenzoxazole, 40874-54-2, 2-Methyl-5-tert-butylbenzoxazole, Benzoxazole, 5-(1,1-dimethylethyl)-2-methyl-, SCHEMBL4399183, CTK1C9256, KS-00000EBG, 5-tert-butyl-2-methylbenzoxazole, DTXSID70503795, 5-(t-Butyl)-2-methylbenzoxazole, MMUQIBNMAXABSM-UHFFFAOYSA-N, 6284AJ, MFCD09027425, ZINC39251528, AKOS022468599, FCH1124749, TRA0079904, 5-tert-Butyl-2-methyl-1,3-benzoxazole, CS-11388, SY018729, TC-307811, MFCD09027425 (95%), C12H15NO, 7686-77-3,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.258g/mol
Monoisotopic Mass	189.115g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number