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130645-48-6 | Pyrimidine, 2-bromo-4-methyl-
CAS No: 130645-48-6 Catalog No: AG000UQH MDL No:MFCD04037883
Product Description
Catalog Number:
AG000UQH
Chemical Name:
Pyrimidine, 2-bromo-4-methyl-
CAS Number:
130645-48-6
Molecular Formula:
C5H5BrN2
Molecular Weight:
173.0106
MDL Number:
MFCD04037883
IUPAC Name:
2-bromo-4-methylpyrimidine
InChI:
InChI=1S/C5H5BrN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
InChI Key:
UZIJEBOLOXOVFY-UHFFFAOYSA-N
SMILES:
Cc1ccnc(n1)Br
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.964g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.013g/mol
Monoisotopic Mass:
171.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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