Home Other Building Blocks 3-(4-Bromophenyl)-3-cyanopropanoic acid

3-(4-Bromophenyl)-3-cyanopropanoic acid

CAS No.:
1003707-16-1
Catalog Number:
AG0001RE
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$300
- +
5g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG0001RE
Chemical Name:
3-(4-Bromophenyl)-3-cyanopropanoic acid
CAS Number:
1003707-16-1
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD09955623
IUPAC Name:
3-(4-bromophenyl)-3-cyanopropanoic acid
InChI:
InChI=1S/C10H8BrNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5H2,(H,13,14)
InChI Key:
AYOMFJWRKMHFBL-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)Br)CC(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties