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1007883-29-5

1007883-29-5 | Ethanone, 2-bromo-1-(2-chloro-5-pyrimidinyl)-

CAS No: 1007883-29-5 Catalog No: AG0002VG MDL No:MFCD15526622

Product Description

Catalog Number:
AG0002VG
Chemical Name:
Ethanone, 2-bromo-1-(2-chloro-5-pyrimidinyl)-
CAS Number:
1007883-29-5
Molecular Formula:
C6H4BrClN2O
Molecular Weight:
235.4658
MDL Number:
MFCD15526622
IUPAC Name:
2-bromo-1-(2-chloropyrimidin-5-yl)ethanone
InChI:
InChI=1S/C6H4BrClN2O/c7-1-5(11)4-2-9-6(8)10-3-4/h2-3H,1H2
InChI Key:
AHPLTAGTTHUTHB-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cnc(nc1)Cl

Properties

Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.92g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.465g/mol
Monoisotopic Mass:
233.92g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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