200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 114416-77-2
114416-77-2 | Benzaldehyde, 4-(acetyloxy)-2-chloro-
CAS No: 114416-77-2 Catalog No: AG000BAD MDL No:
Product Description
Catalog Number:
AG000BAD
Chemical Name:
Benzaldehyde, 4-(acetyloxy)-2-chloro-
CAS Number:
114416-77-2
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
IUPAC Name:
(3-chloro-4-formylphenyl) acetate
InChI:
InChI=1S/C9H7ClO3/c1-6(12)13-8-3-2-7(5-11)9(10)4-8/h2-5H,1H3
InChI Key:
NMHJUSHFEASIKJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)OC(=O)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.