200,000+ products from a single source!
sales@angenechem.com
115902-61-9 | Benzoic acid, 2,4,6-trinitro-, 4-chlorobutyl ester
CAS No: 115902-61-9 Catalog No: AG000H2V MDL No:
Product Description
Catalog Number:
AG000H2V
Chemical Name:
Benzoic acid, 2,4,6-trinitro-, 4-chlorobutyl ester
CAS Number:
115902-61-9
Molecular Formula:
C11H10ClN3O8
Molecular Weight:
347.6654
IUPAC Name:
4-chlorobutyl 2,4,6-trinitrobenzoate
InChI:
InChI=1S/C11H10ClN3O8/c12-3-1-2-4-23-11(16)10-8(14(19)20)5-7(13(17)18)6-9(10)15(21)22/h5-6H,1-4H2
InChI Key:
LADFCXYSDMMPSP-UHFFFAOYSA-N
SMILES:
ClCCCCOC(=O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.016g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.664g/mol
Monoisotopic Mass:
347.016g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.