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69543-98-2 | 4-Bromo-6-methylpyrimidine
CAS No: 69543-98-2 Catalog No: AG0036OQ MDL No:MFCD00234065
Product Description
Catalog Number:
AG0036OQ
Chemical Name:
4-Bromo-6-methylpyrimidine
CAS Number:
69543-98-2
Molecular Formula:
C5H5BrN2
Molecular Weight:
173.0106
MDL Number:
MFCD00234065
IUPAC Name:
4-bromo-6-methylpyrimidine
InChI:
InChI=1S/C5H5BrN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3
InChI Key:
GBPCCNWUSHSRTM-UHFFFAOYSA-N
SMILES:
Cc1ncnc(c1)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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