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60061-70-3 | 4-bromo-3,5-diethyl-1H-pyrazole
CAS No: 60061-70-3 Catalog No: AG01ELII MDL No:MFCD31615930
Product Description
Catalog Number:
AG01ELII
Chemical Name:
4-bromo-3,5-diethyl-1H-pyrazole
CAS Number:
60061-70-3
Molecular Formula:
C7H11BrN2
Molecular Weight:
203.0796
MDL Number:
MFCD31615930
IUPAC Name:
4-bromo-3,5-diethyl-1H-pyrazole
InChI:
InChI=1S/C7H11BrN2/c1-3-5-7(8)6(4-2)10-9-5/h3-4H2,1-2H3,(H,9,10)
InChI Key:
OTSLGRMIYOSZPY-UHFFFAOYSA-N
SMILES:
CCc1[nH]nc(c1Br)CC
Properties
Complexity:
108
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:
1
Isotope Atom Count:
0
Molecular Weight:
203.083g/mol
Monoisotopic Mass:
202.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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