AG00AKIO

1439-08-3 | 5-Bromo-4-tert-butylpyrimidine

AG00AKIO

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CAS Number	1439-08-3
Catalog Number	AG00AKIO(AGN-PC-0NJ1T3)
Chemical Name	5-Bromo-4-tert-butylpyrimidine
IUPAC Name	5-bromo-4-tert-butylpyrimidine
InChI	InChI=1S/C8H11BrN2/c1-8(2,3)7-6(9)4-10-5-11-7/h4-5H,1-3H3
InChI Key	ROCULZFCNXRIKL-UHFFFAOYSA-N
MDL Number	MFCD17012062
Molecular Formula	C8H11BrN2
Molecular Weight	215.0903
SMILES	CC(C1=NC=NC=C1Br)(C)C
Synonyms	5-Bromo-4-(tert-butyl)pyrimidine, 1439-08-3, 5-Bromo-4-tert-butylpyrimidine, AK132495, Pyrimidine, 5-bromo-4-(1,1-dimethylethyl)-, 5-bromo-4-t-butylpyrimidine, SCHEMBL8183467, CTK0B3805, KS-00000RGU, DTXSID70499200, MFCD17012062, ZINC39233306, AKOS016845115, DS-7071, FCH1351501, RL01794, AJ-99247, AX8253418, DB-083375, CS-0060887, FT-0708636, J-517117,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.011g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.094g/mol
Monoisotopic Mass	214.011g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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