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15803-02-8 | 1H-Pyrazole, 4-bromo-1-methyl-
CAS No: 15803-02-8 Catalog No: AG001PXR MDL No:MFCD02179565
Product Description
Catalog Number:
AG001PXR
Chemical Name:
1H-Pyrazole, 4-bromo-1-methyl-
CAS Number:
15803-02-8
Molecular Formula:
C4H5BrN2
Molecular Weight:
160.9999
MDL Number:
MFCD02179565
IUPAC Name:
4-bromo-1-methylpyrazole
InChI:
InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChI Key:
IXJSDKIJPVSPKF-UHFFFAOYSA-N
SMILES:
Cn1cc(cn1)Br
Properties
Complexity:
66.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.964g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.002g/mol
Monoisotopic Mass:
159.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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