200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1280786-97-1
1280786-97-1 | Benzoic acid, 3-butoxy-4-chloro-
CAS No: 1280786-97-1 Catalog No: AG000XS5 MDL No:MFCD18434437
Product Description
Catalog Number:
AG000XS5
Chemical Name:
Benzoic acid, 3-butoxy-4-chloro-
CAS Number:
1280786-97-1
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
MDL Number:
MFCD18434437
IUPAC Name:
3-butoxy-4-chlorobenzoic acid
InChI:
InChI=1S/C11H13ClO3/c1-2-3-6-15-10-7-8(11(13)14)4-5-9(10)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
VRKIJXYNWBDRJJ-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1Cl)C(=O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.672g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.