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71229-85-1 | 4-Bromo-1-ethyl-1H-pyrazole
CAS No: 71229-85-1 Catalog No: AG003KUV MDL No:MFCD08235252
Product Description
Catalog Number:
AG003KUV
Chemical Name:
4-Bromo-1-ethyl-1H-pyrazole
CAS Number:
71229-85-1
Molecular Formula:
C5H7BrN2
Molecular Weight:
175.0265
MDL Number:
MFCD08235252
IUPAC Name:
4-bromo-1-ethylpyrazole
InChI:
InChI=1S/C5H7BrN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChI Key:
IPMSARLBJARXSC-UHFFFAOYSA-N
SMILES:
CCn1cc(cn1)Br
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:
0
Isotope Atom Count:
0
Molecular Weight:
175.029g/mol
Monoisotopic Mass:
173.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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