200,000+ products from a single source!
sales@angenechem.com
1309448-74-5 | Benzoic acid, 4-(acetylamino)-3-(4-chlorobenzoyl)-, methyl ester
CAS No: 1309448-74-5 Catalog No: AG000V4L MDL No:
Product Description
Catalog Number:
AG000V4L
Chemical Name:
Benzoic acid, 4-(acetylamino)-3-(4-chlorobenzoyl)-, methyl ester
CAS Number:
1309448-74-5
Molecular Formula:
C17H14ClNO4
Molecular Weight:
331.7504
IUPAC Name:
methyl 4-acetamido-3-(4-chlorobenzoyl)benzoate
InChI:
InChI=1S/C17H14ClNO4/c1-10(20)19-15-8-5-12(17(22)23-2)9-14(15)16(21)11-3-6-13(18)7-4-11/h3-9H,1-2H3,(H,19,20)
InChI Key:
DSPWCXHEFQSDCG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(=O)c1ccc(cc1)Cl)NC(=O)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.061g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.752g/mol
Monoisotopic Mass:
331.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.5A^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.