200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 120122-93-2
120122-93-2 | 2H-1,4-Benzoxazin-3(4H)-one, 6-nitro-4-(2-pyridinylmethyl)-
CAS No: 120122-93-2 Catalog No: AG000QCV MDL No:
Product Description
Catalog Number:
AG000QCV
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 6-nitro-4-(2-pyridinylmethyl)-
CAS Number:
120122-93-2
Molecular Formula:
C14H11N3O4
Molecular Weight:
285.2548
IUPAC Name:
6-nitro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
InChI:
InChI=1S/C14H11N3O4/c18-14-9-21-13-5-4-11(17(19)20)7-12(13)16(14)8-10-3-1-2-6-15-10/h1-7H,8-9H2
InChI Key:
WUKGYTSINZSRRG-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1Cc1ccccn1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.259g/mol
Monoisotopic Mass:
285.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.