200,000+ products from a single source!
sales@angenechem.com
20320-39-2 | Benzoic acid, 2-[[bis(1-methylethyl)amino]carbonyl]-
CAS No: 20320-39-2 Catalog No: AG0028QR MDL No:
Product Description
Catalog Number:
AG0028QR
Chemical Name:
Benzoic acid, 2-[[bis(1-methylethyl)amino]carbonyl]-
CAS Number:
20320-39-2
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
2-[di(propan-2-yl)carbamoyl]benzoic acid
InChI:
InChI=1S/C14H19NO3/c1-9(2)15(10(3)4)13(16)11-7-5-6-8-12(11)14(17)18/h5-10H,1-4H3,(H,17,18)
InChI Key:
PZSITMBIVNJHKF-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)c1ccccc1C(=O)O)C(C)C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.