200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1261585-44-7
1261585-44-7 | Benzoic acid, 2-bromo-5-cyano-, ethyl ester
CAS No: 1261585-44-7 Catalog No: AG000RVT MDL No:MFCD18395878
Product Description
Catalog Number:
AG000RVT
Chemical Name:
Benzoic acid, 2-bromo-5-cyano-, ethyl ester
CAS Number:
1261585-44-7
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD18395878
IUPAC Name:
ethyl 2-bromo-5-cyanobenzoate
InChI:
InChI=1S/C10H8BrNO2/c1-2-14-10(13)8-5-7(6-12)3-4-9(8)11/h3-5H,2H2,1H3
InChI Key:
LPZYUQDSUQFAOZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(ccc1Br)C#N
Properties
Complexity:
258
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:
0
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.