200,000+ products from a single source!
sales@angenechem.com
179994-91-3 | Benzoic acid, 2-(2-bromoethyl)-, ethyl ester
CAS No: 179994-91-3 Catalog No: AG0021K6 MDL No:MFCD27946347
Product Description
Catalog Number:
AG0021K6
Chemical Name:
Benzoic acid, 2-(2-bromoethyl)-, ethyl ester
CAS Number:
179994-91-3
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD27946347
IUPAC Name:
ethyl 2-(2-bromoethyl)benzoate
InChI:
InChI=1S/C11H13BrO2/c1-2-14-11(13)10-6-4-3-5-9(10)7-8-12/h3-6H,2,7-8H2,1H3
InChI Key:
ABAWHAYBJQQBGA-UHFFFAOYSA-N
SMILES:
BrCCc1ccccc1C(=O)OCC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.