200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 49568-47-0
49568-47-0 | Benzoic acid, 4,4'-dithiobis[3-nitro-, diethyl ester
CAS No: 49568-47-0 Catalog No: AG00I8UZ MDL No:MFCD29923992
Product Description
Catalog Number:
AG00I8UZ
Chemical Name:
Benzoic acid, 4,4'-dithiobis[3-nitro-, diethyl ester
CAS Number:
49568-47-0
MDL Number:
MFCD29923992
IUPAC Name:
ethyl 4-[(4-ethoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoate
InChI:
InChI=1S/C18H16N2O8S2/c1-3-27-17(21)11-5-7-15(13(9-11)19(23)24)29-30-16-8-6-12(18(22)28-4-2)10-14(16)20(25)26/h5-10H,3-4H2,1-2H3
InChI Key:
MYSPIDICHQHTRO-UHFFFAOYSA-N
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.035g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.452g/mol
Monoisotopic Mass:
452.035g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.