Home Halogens 5-(4-bromobenzoyl)pyrimidine

5-(4-bromobenzoyl)pyrimidine

CAS No.:
1187165-02-1
Catalog Number:
AG01AD4Q
Molecular Formula:
C11H7BrN2O
Molecular Weight:
263.0901
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Product Description
Catalog Number:
AG01AD4Q
Chemical Name:
5-(4-bromobenzoyl)pyrimidine
CAS Number:
1187165-02-1
Molecular Formula:
C11H7BrN2O
Molecular Weight:
263.0901
MDL Number:
MFCD13152957
IUPAC Name:
(4-bromophenyl)-pyrimidin-5-ylmethanone
InChI:
InChI=1S/C11H7BrN2O/c12-10-3-1-8(2-4-10)11(15)9-5-13-7-14-6-9/h1-7H
InChI Key:
NZJSYWPDXWYIMG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1cncnc1
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.974g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.094g/mol
Monoisotopic Mass:
261.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties