200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 89423-25-6

89423-25-6

89423-25-6 | Acetic acid, (4-bromophenoxy)-, compd. with N,N-diethylethanamine(1:1)

CAS No: 89423-25-6 Catalog No: AG00462J MDL No:

Product Description

Catalog Number:
AG00462J
Chemical Name:
Acetic acid, (4-bromophenoxy)-, compd. with N,N-diethylethanamine(1:1)
CAS Number:
89423-25-6
Molecular Formula:
C14H22BrNO3
Molecular Weight:
332.2334
IUPAC Name:
2-(4-bromophenoxy)acetic acid;N,N-diethylethanamine
InChI:
InChI=1S/C8H7BrO3.C6H15N/c9-6-1-3-7(4-2-6)12-5-8(10)11;1-4-7(5-2)6-3/h1-4H,5H2,(H,10,11);4-6H2,1-3H3
InChI Key:
GAOZSTZOOXKDGN-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)Br.CCN(CC)CC

Properties

Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.078g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
332.238g/mol
Monoisotopic Mass:
331.078g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

© 2019 Angene International Limited. All rights Reserved.