AG00C8DJ

39919-58-9 | 5-Bromo-2-tert-butylpyridine

AG00C8DJ

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CAS Number	39919-58-9
Catalog Number	AG00C8DJ(AGN-PC-034TD9)
Chemical Name	5-Bromo-2-tert-butylpyridine
IUPAC Name	5-bromo-2-tert-butylpyridine
InChI	InChI=1S/C9H12BrN/c1-9(2,3)8-5-4-7(10)6-11-8/h4-6H,1-3H3
InChI Key	HAJSOFXLKFWERP-UHFFFAOYSA-N
MDL Number	MFCD11847809
Molecular Formula	C9H12BrN
Molecular Weight	214.1023
SMILES	CC(C)(C)C1=NC=C(Br)C=C1
Synonyms	5-bromo-2-tert-butylpyridine, 39919-58-9, 5-Bromo-2-(tert-butyl)pyridine, 5-BROMO-2-TERT-BUTYL-PYRIDINE, SCHEMBL681100, CTK4I2098, DTXSID50610315, HAJSOFXLKFWERP-UHFFFAOYSA-N, ANW-74421, MFCD11847809, ZINC44121371, AKOS015841422, MB10118, 3-BROMO-6-(TERT-BUTYL)PYRIDINE, AS-42333, SC-14646, SY128727, AB0032935, AJ-109235, DB-069893, TC-064266, BB 0260900, FT-0682258, X6374, MFCD11847809 (95%), 5-BROMO-2-(1,1-DIMETHYLETHYL)PYRIDINE, Z-6195, I02-2650, C9H12BrN, A11379,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.015g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.106g/mol
Monoisotopic Mass	213.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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