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Home Halogens (2Z)-3-(4-tert-Butylphenyl)-3-chloroprop-2-enenitrile

(2Z)-3-(4-tert-Butylphenyl)-3-chloroprop-2-enenitrile

CAS No.:
1094390-36-9
Catalog Number:
AG0094B7
Molecular Formula:
C13H14ClN
Molecular Weight:
219.7100
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$188
- +
1g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG0094B7
Chemical Name:
(2Z)-3-(4-tert-Butylphenyl)-3-chloroprop-2-enenitrile
CAS Number:
1094390-36-9
Molecular Formula:
C13H14ClN
Molecular Weight:
219.7100
MDL Number:
MFCD11207895
IUPAC Name:
3-(4-tert-butylphenyl)-3-chloroprop-2-enenitrile
InChI:
InChI=1S/C13H14ClN/c1-13(2,3)11-6-4-10(5-7-11)12(14)8-9-15/h4-8H,1-3H3
InChI Key:
NLHOFKJGXHTNRQ-UHFFFAOYSA-N
SMILES:
N#C/C=C(/c1ccc(cc1)C(C)(C)C)\Cl
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.081g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.712g/mol
Monoisotopic Mass:
219.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.2  
Properties