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941294-38-8 | 5-Bromo-4-(3,4-dimethylphenyl)pyrimidine
CAS No: 941294-38-8 Catalog No: AG003MIQ MDL No:MFCD09800943
Product Description
Catalog Number:
AG003MIQ
Chemical Name:
5-Bromo-4-(3,4-dimethylphenyl)pyrimidine
CAS Number:
941294-38-8
Molecular Formula:
C12H11BrN2
Molecular Weight:
263.1331
MDL Number:
MFCD09800943
IUPAC Name:
5-bromo-4-(3,4-dimethylphenyl)pyrimidine
InChI:
InChI=1S/C12H11BrN2/c1-8-3-4-10(5-9(8)2)12-11(13)6-14-7-15-12/h3-7H,1-2H3
InChI Key:
TYVXESWZRHOVSY-UHFFFAOYSA-N
SMILES:
Brc1cncnc1c1ccc(c(c1)C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.011g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.138g/mol
Monoisotopic Mass:
262.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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