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Home > Bromides > 1025351-12-5
1025351-12-5 | 2-Pyrimidinemethanol, 5-bromo-, 2-benzoate
CAS No: 1025351-12-5 Catalog No: AG0007NX MDL No:MFCD26127520
Product Description
Catalog Number:
AG0007NX
Chemical Name:
2-Pyrimidinemethanol, 5-bromo-, 2-benzoate
CAS Number:
1025351-12-5
Molecular Formula:
C12H9BrN2O2
Molecular Weight:
293.1161
MDL Number:
MFCD26127520
IUPAC Name:
(5-bromopyrimidin-2-yl)methyl benzoate
InChI:
InChI=1S/C12H9BrN2O2/c13-10-6-14-11(15-7-10)8-17-12(16)9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
WRVDNKDFOHEVOB-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)COC(=O)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.985g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.12g/mol
Monoisotopic Mass:
291.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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