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15802-79-6 | 1H-Pyrazole, 4-bromo-3-ethyl-
CAS No: 15802-79-6 Catalog No: AG001PWV MDL No:MFCD16620172
Product Description
Catalog Number:
AG001PWV
Chemical Name:
1H-Pyrazole, 4-bromo-3-ethyl-
CAS Number:
15802-79-6
Molecular Formula:
C5H7BrN2
Molecular Weight:
175.0265
MDL Number:
MFCD16620172
IUPAC Name:
4-bromo-5-ethyl-1H-pyrazole
InChI:
InChI=1S/C5H7BrN2/c1-2-5-4(6)3-7-8-5/h3H,2H2,1H3,(H,7,8)
InChI Key:
QJIWUPJCGOTRMI-UHFFFAOYSA-N
SMILES:
CCc1n[nH]cc1Br
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.979g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.029g/mol
Monoisotopic Mass:
173.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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