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Home > Bromides > 1314987-32-0
1314987-32-0 | 1H-Indazole, 6-bromo-3-butyl-
CAS No: 1314987-32-0 Catalog No: AG000WBU MDL No:MFCD19684138
Product Description
Catalog Number:
AG000WBU
Chemical Name:
1H-Indazole, 6-bromo-3-butyl-
CAS Number:
1314987-32-0
Molecular Formula:
C11H13BrN2
Molecular Weight:
253.1383
MDL Number:
MFCD19684138
IUPAC Name:
6-bromo-3-butyl-2H-indazole
InChI:
InChI=1S/C11H13BrN2/c1-2-3-4-10-9-6-5-8(12)7-11(9)14-13-10/h5-7H,2-4H2,1H3,(H,13,14)
InChI Key:
YUYWWOCCPQJSDL-UHFFFAOYSA-N
SMILES:
CCCCc1n[nH]c2c1ccc(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:
1
Isotope Atom Count:
0
Molecular Weight:
253.143g/mol
Monoisotopic Mass:
252.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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