200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 7355-40-0
7355-40-0 | 2,4,6-trinitrophenol- 4-{[(2-methylphenyl)sulfanyl]methyl}morpholine(1:1)
CAS No: 7355-40-0 Catalog No: AG005MW8 MDL No:
Product Description
Catalog Number:
AG005MW8
Chemical Name:
2,4,6-trinitrophenol- 4-{[(2-methylphenyl)sulfanyl]methyl}morpholine(1:1)
CAS Number:
7355-40-0
Molecular Formula:
C18H20N4O8S
Molecular Weight:
452.4384
IUPAC Name:
4-[(2-methylphenyl)sulfanylmethyl]morpholine;2,4,6-trinitrophenol
InChI:
InChI=1S/C12H17NOS.C6H3N3O7/c1-11-4-2-3-5-12(11)15-10-13-6-8-14-9-7-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5H,6-10H2,1H3;1-2,10H
InChI Key:
GSTQNQLWTICJNF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.Cc1ccccc1SCN1CCOCC1
NSC Number:
57931
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.1g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
452.438g/mol
Monoisotopic Mass:
452.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.