200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1017789-33-1
1017789-33-1 | Benzeneacetic acid, α-(3-bromopropyl)-4-chloro-
CAS No: 1017789-33-1 Catalog No: AG0005KD MDL No:MFCD09991598
Product Description
Catalog Number:
AG0005KD
Chemical Name:
Benzeneacetic acid, α-(3-bromopropyl)-4-chloro-
CAS Number:
1017789-33-1
Molecular Formula:
C11H12BrClO2
Molecular Weight:
291.5688
MDL Number:
MFCD09991598
IUPAC Name:
5-bromo-2-(4-chlorophenyl)pentanoic acid
InChI:
InChI=1S/C11H12BrClO2/c12-7-1-2-10(11(14)15)8-3-5-9(13)6-4-8/h3-6,10H,1-2,7H2,(H,14,15)
InChI Key:
ZIXCXSPCIYPZKF-UHFFFAOYSA-N
SMILES:
BrCCCC(c1ccc(cc1)Cl)C(=O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.569g/mol
Monoisotopic Mass:
289.971g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.