Home Halogens Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4h-chromene-3-carboxylate

Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4h-chromene-3-carboxylate

CAS No.:
65673-63-4
Catalog Number:
AG00FAFA
Molecular Formula:
C17H17BrN2O5
Molecular Weight:
409.2313
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$126
- +
50mg
98%
1 week
United States
$210
- +
Product Description
Catalog Number:
AG00FAFA
Chemical Name:
Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4h-chromene-3-carboxylate
CAS Number:
65673-63-4
Molecular Formula:
C17H17BrN2O5
Molecular Weight:
409.2313
MDL Number:
MFCD00218213
IUPAC Name:
ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
InChI:
InChI=1S/C17H17BrN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13H,3-4,20H2,1-2H3
InChI Key:
SXJDCULZDFWMJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@H]([C@H]1C(=C(N)Oc2c1cc(Br)cc2)C(=O)OCC)C#N
NSC Number:
720569
Properties
Complexity:
611  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.032g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
409.236g/mol
Monoisotopic Mass:
408.032g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
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Properties