200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1022980-69-3
1022980-69-3 | Benzoic acid, 2-(bromomethyl)-6-cyano-, methyl ester
CAS No: 1022980-69-3 Catalog No: AG00075E MDL No:MFCD18398836
Product Description
Catalog Number:
AG00075E
Chemical Name:
Benzoic acid, 2-(bromomethyl)-6-cyano-, methyl ester
CAS Number:
1022980-69-3
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD18398836
IUPAC Name:
methyl 2-(bromomethyl)-6-cyanobenzoate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)9-7(5-11)3-2-4-8(9)6-12/h2-4H,5H2,1H3
InChI Key:
MSXPMFZZUHOIIN-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(CBr)cccc1C#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:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.