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119291-22-4 | 1H-Pyrazole, 1-(2-bromoethyl)-
CAS No: 119291-22-4 Catalog No: AG000IIJ MDL No:MFCD03727235
Product Description
Catalog Number:
AG000IIJ
Chemical Name:
1H-Pyrazole, 1-(2-bromoethyl)-
CAS Number:
119291-22-4
Molecular Formula:
C5H7BrN2
Molecular Weight:
175.0265
MDL Number:
MFCD03727235
IUPAC Name:
1-(2-bromoethyl)pyrazole
InChI:
InChI=1S/C5H7BrN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChI Key:
PFSTUXCXMBDZRM-UHFFFAOYSA-N
SMILES:
BrCCn1cccn1
Properties
Complexity:
67.4
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:
0
Isotope Atom Count:
0
Molecular Weight:
175.029g/mol
Monoisotopic Mass:
173.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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