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Home > Bromides > 1280786-85-7
1280786-85-7 | 1H-Indazole, 5-bromo-1-butyl-
CAS No: 1280786-85-7 Catalog No: AG000XRD MDL No:MFCD18434479
Product Description
Catalog Number:
AG000XRD
Chemical Name:
1H-Indazole, 5-bromo-1-butyl-
CAS Number:
1280786-85-7
Molecular Formula:
C11H13BrN2
Molecular Weight:
253.1383
MDL Number:
MFCD18434479
IUPAC Name:
5-bromo-1-butylindazole
InChI:
InChI=1S/C11H13BrN2/c1-2-3-6-14-11-5-4-10(12)7-9(11)8-13-14/h4-5,7-8H,2-3,6H2,1H3
InChI Key:
WZKCPFIDHKMCCK-UHFFFAOYSA-N
SMILES:
CCCCn1ncc2c1ccc(c2)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.143g/mol
Monoisotopic Mass:
252.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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