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1506667-04-4

1506667-04-4 | 4-bromo-1-isopropyl-5-methyl-1H-pyrazole

CAS No: 1506667-04-4 Catalog No: AG01EL3U MDL No:MFCD26938377

Product Description

Catalog Number:
AG01EL3U
Chemical Name:
4-bromo-1-isopropyl-5-methyl-1H-pyrazole
CAS Number:
1506667-04-4
Molecular Formula:
C7H11BrN2
Molecular Weight:
203.0796
MDL Number:
MFCD26938377
IUPAC Name:
4-bromo-5-methyl-1-propan-2-ylpyrazole
InChI:
InChI=1S/C7H11BrN2/c1-5(2)10-6(3)7(8)4-9-10/h4-5H,1-3H3
InChI Key:
ODWXMADXDUAWSO-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1C)Br)C

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.011g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.083g/mol
Monoisotopic Mass:
202.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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