200,000+ products from a single source!
sales@angenechem.com
898782-09-7 | 3-(3-Bromophenyl)-2'-cyanopropiophenone
CAS No: 898782-09-7 Catalog No: AG01EYX3 MDL No:
Product Description
Catalog Number:
AG01EYX3
Chemical Name:
3-(3-Bromophenyl)-2'-cyanopropiophenone
CAS Number:
898782-09-7
Molecular Formula:
C16H12BrNO
Molecular Weight:
314.1766
IUPAC Name:
2-[3-(3-bromophenyl)propanoyl]benzonitrile
InChI:
InChI=1S/C16H12BrNO/c17-14-6-3-4-12(10-14)8-9-16(19)15-7-2-1-5-13(15)11-18/h1-7,10H,8-9H2
InChI Key:
JYDAIUSXIVCARN-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(=O)CCc1cccc(c1)Br
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.01g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.182g/mol
Monoisotopic Mass:
313.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.