200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 861210-71-1
861210-71-1 | 2-methyl-4-(3-nitropyridin-2-yl)-4,5-dihydro-1,3,4-benzoxadiazepin-5-one
CAS No: 861210-71-1 Catalog No: AG00IXVL MDL No:MFCD03848435
Product Description
Catalog Number:
AG00IXVL
Chemical Name:
2-methyl-4-(3-nitropyridin-2-yl)-4,5-dihydro-1,3,4-benzoxadiazepin-5-one
CAS Number:
861210-71-1
Molecular Formula:
C14H10N4O4
Molecular Weight:
298.2536
MDL Number:
MFCD03848435
IUPAC Name:
2-methyl-4-(3-nitropyridin-2-yl)-1,3,4-benzoxadiazepin-5-one
InChI:
InChI=1S/C14H10N4O4/c1-9-16-17(13-11(18(20)21)6-4-8-15-13)14(19)10-5-2-3-7-12(10)22-9/h2-8H,1H3
InChI Key:
FDLMYIJTUPVQIP-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)c2c(O1)cccc2)c1ncccc1[N+](=O)[O-]
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.258g/mol
Monoisotopic Mass:
298.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.