CAS
94113-48-1 Purity
96%
94113-48-1 Purity
96%
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2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide
CAS
94113-52-7
Catalog Number
ACM94113527
Category
Other Products
Molecular Weight
393.372740 [g/mol]
Molecular Formula
C19H11N3O5S
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Specification
Synonyms
EINECS 302-586-6, 2,8-Dinitro-11-phenyldibenzo(b,f)(1,4)thiazepine 5-oxide, 94113-52-7
IUPAC Name
3,8-dinitro-6-phenylbenzo[b][1,4]benzothiazepine 11-oxide
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])S(=O)C4=C2C=C(C=C4)[N+](=O)[O-]
InChI Key
CQRMCOMDICABOL-UHFFFAOYSA-N
Boiling Point
611.8ºC at 760mmHg
Flash Point
323.8ºC
Density
1.58g/cm³
EC Number
302-586-6
Exact Mass
393.04200
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide?
The molecular formula is C19H11N3O5S.
What is the molecular weight of 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide?
The molecular weight is 393.4 g/mol.
What is the IUPAC Name of 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide?
The IUPAC Name is 3,8-dinitro-6-phenylbenzo[b][1,4]benzothiazepine 11-oxide.
What is the InChI of 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide?
The InChI is InChI=1S/C19H11N3O5S/c23-21(24)13-6-8-17-15(10-13)19(12-4-2-1-3-5-12)20-16-11-14(22(25)26)7-9-18(16)28(17)27/h1-11H.
What is the InChIKey of 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide?
The InChIKey is CQRMCOMDICABOL-UHFFFAOYSA-N.
What is the Canonical SMILES of 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide?
The Canonical SMILES is C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])S(=O)C4=C2C=C(C=C4)[N+](=O)[O-].
What is the CAS number of 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide?
The CAS number is 94113-52-7.
What is the European Community (EC) Number of 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide?
The EC Number is 302-586-6.
What is the XLogP3-AA value of 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide?
The XLogP3-AA value is 3.5.
How many hydrogen bond acceptors are there in 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide?
There are 7 hydrogen bond acceptors.
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