Home Halogens Diethyl 2-((5-bromo-1H-indol-3-yl)methylene)malonate

Diethyl 2-((5-bromo-1H-indol-3-yl)methylene)malonate

CAS No.:
93941-03-8
Catalog Number:
AG006ASL
Molecular Formula:
C16H16BrNO4
Molecular Weight:
366.2065
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$319
- +
5g
1 week
United States
$1130
- +
10g
1 week
United States
$2177
- +
25g
1 week
United States
$4330
- +
Product Description
Catalog Number:
AG006ASL
Chemical Name:
Diethyl 2-((5-bromo-1H-indol-3-yl)methylene)malonate
CAS Number:
93941-03-8
Molecular Formula:
C16H16BrNO4
Molecular Weight:
366.2065
MDL Number:
MFCD00022745
IUPAC Name:
diethyl 2-[(5-bromo-1H-indol-3-yl)methylidene]propanedioate
InChI:
InChI=1S/C16H16BrNO4/c1-3-21-15(19)13(16(20)22-4-2)7-10-9-18-14-6-5-11(17)8-12(10)14/h5-9,18H,3-4H2,1-2H3
InChI Key:
XFWAGGLINZUVII-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1c[nH]c2c1cc(Br)cc2)C(=O)OCC
EC Number:
300-502-2
NSC Number:
163288
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.026g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
366.211g/mol
Monoisotopic Mass:
365.026g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties