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Home Halogens Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

CAS No.:
131707-24-9
Catalog Number:
AG000ZLU
Molecular Formula:
C19H18BrNO3S
Molecular Weight:
420.3201
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$63
- +
100g
95%
In Stock USA
United States
$175
- +
500g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG000ZLU
Chemical Name:
Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
CAS Number:
131707-24-9
Molecular Formula:
C19H18BrNO3S
Molecular Weight:
420.3201
MDL Number:
MFCD00378136
IUPAC Name:
ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
InChI:
InChI=1S/C19H18BrNO3S/c1-3-24-19(23)18-13-9-17(22)14(20)10-15(13)21(2)16(18)11-25-12-7-5-4-6-8-12/h4-10,22H,3,11H2,1-2H3
InChI Key:
DAFNNZWQTJQQAP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c2cc(O)c(cc2n(c1CSc1ccccc1)C)Br
EC Number:
629-769-6
Properties
Complexity:
460  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.019g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
420.321g/mol
Monoisotopic Mass:
419.019g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties