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50488-34-1 | 2-Bromo-4-(tert-butyl)pyridine
CAS No: 50488-34-1 Catalog No: AG003356 MDL No:MFCD11223221
Product Description
Catalog Number:
AG003356
Chemical Name:
2-Bromo-4-(tert-butyl)pyridine
CAS Number:
50488-34-1
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
MDL Number:
MFCD11223221
IUPAC Name:
2-bromo-4-tert-butylpyridine
InChI:
InChI=1S/C9H12BrN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3
InChI Key:
JOACEYFXFYWUIK-UHFFFAOYSA-N
SMILES:
Brc1nccc(c1)C(C)(C)C
Properties
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:
3.5
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