200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 2060028-87-5
2060028-87-5 | 5-nitro-2,3-dihydro-1,3-benzothiazole
CAS No: 2060028-87-5 Catalog No: AG01BQAM MDL No:MFCD30501195
Product Description
Catalog Number:
AG01BQAM
Chemical Name:
5-nitro-2,3-dihydro-1,3-benzothiazole
CAS Number:
2060028-87-5
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD30501195
IUPAC Name:
5-nitro-2,3-dihydro-1,3-benzothiazole
InChI:
InChI=1S/C7H6N2O2S/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-3,8H,4H2
InChI Key:
XKOJUSWHXABPQR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)NCS2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.