200,000+ products from a single source!
sales@angenechem.com
116109-30-9 | Propanoic acid, 2-bromo-, 1-cyano-1-methylethyl ester
CAS No: 116109-30-9 Catalog No: AG000BNI MDL No:
Product Description
Catalog Number:
AG000BNI
Chemical Name:
Propanoic acid, 2-bromo-, 1-cyano-1-methylethyl ester
CAS Number:
116109-30-9
Molecular Formula:
C7H10BrNO2
Molecular Weight:
220.0638
IUPAC Name:
2-cyanopropan-2-yl 2-bromopropanoate
InChI:
InChI=1S/C7H10BrNO2/c1-5(8)6(10)11-7(2,3)4-9/h5H,1-3H3
InChI Key:
CFOBIQZVSHDWMJ-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC(C#N)(C)C)Br
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.066g/mol
Monoisotopic Mass:
218.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.