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851087-08-6

851087-08-6 | 5-Bromo-1-isopropylpyridin-2(1H);-one

CAS No: 851087-08-6 Catalog No: AG004RE9 MDL No:MFCD10699719

Product Description

Catalog Number:
AG004RE9
Chemical Name:
5-Bromo-1-isopropylpyridin-2(1H);-one
CAS Number:
851087-08-6
Molecular Formula:
C8H10BrNO
Molecular Weight:
216.0751
MDL Number:
MFCD10699719
IUPAC Name:
5-bromo-1-propan-2-ylpyridin-2-one
InChI:
InChI=1S/C8H10BrNO/c1-6(2)10-5-7(9)3-4-8(10)11/h3-6H,1-2H3
InChI Key:
ULPBSLPRYWCIDD-UHFFFAOYSA-N
SMILES:
CC(n1cc(Br)ccc1=O)C

Properties

Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.995g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.078g/mol
Monoisotopic Mass:
214.995g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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