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25198-96-3 | Pyrimidine, 5-(bromomethyl)-
CAS No: 25198-96-3 Catalog No: AG002QV9 MDL No:MFCD11226512
Product Description
Catalog Number:
AG002QV9
Chemical Name:
Pyrimidine, 5-(bromomethyl)-
CAS Number:
25198-96-3
Molecular Formula:
C5H5BrN2
Molecular Weight:
173.0106
MDL Number:
MFCD11226512
IUPAC Name:
5-(bromomethyl)pyrimidine
InChI:
InChI=1S/C5H5BrN2/c6-1-5-2-7-4-8-3-5/h2-4H,1H2
InChI Key:
PPPCEAMFCKQRHG-UHFFFAOYSA-N
SMILES:
BrCc1cncnc1
Properties
Complexity:
61.4
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:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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