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Home Other Building Blocks Ciliobrevin a

Ciliobrevin a

CAS No.:
302803-72-1
Catalog Number:
AG002ZGX
Molecular Formula:
C17H9Cl2N3O2
Molecular Weight:
358.1783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$133
- +
10mg
≥98%
1 week
United States
$179
- +
25mg
≥98%
1 week
United States
$343
- +
50mg
98%
1 week
United States
$590
- +
100mg
98%
1 week
United States
$973
- +
Product Description
Catalog Number:
AG002ZGX
Chemical Name:
Ciliobrevin a
CAS Number:
302803-72-1
Molecular Formula:
C17H9Cl2N3O2
Molecular Weight:
358.1783
MDL Number:
MFCD01911757
IUPAC Name:
(Z)-3-(2,4-dichlorophenyl)-3-hydroxy-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C17H9Cl2N3O2/c18-9-5-6-10(13(19)7-9)15(23)12(8-20)16-21-14-4-2-1-3-11(14)17(24)22-16/h1-7,23H,(H,21,22,24)/b15-12-
InChI Key:
UEZZGQDPOFILFH-QINSGFPZSA-N
SMILES:
N#CC(=c1[nH]c(=O)c2c([nH]1)cccc2)C(=O)c1ccc(cc1Cl)Cl
Properties
Complexity:
637  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
357.007g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
358.178g/mol
Monoisotopic Mass:
357.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties