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201227-23-8 | 1H-Indazole, 5-bromo-3-(methylthio)-
CAS No: 201227-23-8 Catalog No: AG002DA9 MDL No:MFCD13183072
Product Description
Catalog Number:
AG002DA9
Chemical Name:
1H-Indazole, 5-bromo-3-(methylthio)-
CAS Number:
201227-23-8
Molecular Formula:
C8H7BrN2S
Molecular Weight:
243.1236
MDL Number:
MFCD13183072
IUPAC Name:
5-bromo-3-methylsulfanyl-1H-indazole
InChI:
InChI=1S/C8H7BrN2S/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChI Key:
BGLZAKHTTIEEMC-UHFFFAOYSA-N
SMILES:
CSc1n[nH]c2c1cc(Br)cc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.951g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.122g/mol
Monoisotopic Mass:
241.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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