200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 138681-67-1
138681-67-1 | Benzoic acid, 3-methoxy-4-[(1-methyl-5-nitro-1H-indol-3-yl)methyl]-
CAS No: 138681-67-1 Catalog No: AG0018ZE MDL No:
Product Description
Catalog Number:
AG0018ZE
Chemical Name:
Benzoic acid, 3-methoxy-4-[(1-methyl-5-nitro-1H-indol-3-yl)methyl]-
CAS Number:
138681-67-1
Molecular Formula:
C18H16N2O5
Molecular Weight:
340.3300
IUPAC Name:
3-methoxy-4-[(1-methyl-5-nitroindol-3-yl)methyl]benzoic acid
InChI:
InChI=1S/C18H16N2O5/c1-19-10-13(15-9-14(20(23)24)5-6-16(15)19)7-11-3-4-12(18(21)22)8-17(11)25-2/h3-6,8-10H,7H2,1-2H3,(H,21,22)
InChI Key:
NELLVSXXPHJHSG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Cc1cn(c2c1cc(cc2)[N+](=O)[O-])C)C(=O)O
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.335g/mol
Monoisotopic Mass:
340.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.