Home Nitriles 4-Bromo-2-isopropylbenzonitrile

4-Bromo-2-isopropylbenzonitrile

CAS No.:
1349717-06-1
Catalog Number:
AG01DCZR
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$350
- +
1g
97%
1 week
United States
$663
- +
5g
97%
1 week
United States
$2809
- +
Product Description
Catalog Number:
AG01DCZR
Chemical Name:
4-Bromo-2-isopropylbenzonitrile
CAS Number:
1349717-06-1
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
MDL Number:
MFCD19686185
IUPAC Name:
4-bromo-2-propan-2-ylbenzonitrile
InChI:
InChI=1S/C10H10BrN/c1-7(2)10-5-9(11)4-3-8(10)6-12/h3-5,7H,1-2H3
InChI Key:
LGBLAVHYDPWSPW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(C)C)Br
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.101g/mol
Monoisotopic Mass:
223g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties