200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 866135-95-7
866135-95-7 | 7,8-dimethoxy-3-[(4-nitrophenyl)methyl]-2,3-dihydro-1H-3-benzazepin-2-one
CAS No: 866135-95-7 Catalog No: AG00IYV1 MDL No:MFCD05256331
Product Description
Catalog Number:
AG00IYV1
Chemical Name:
7,8-dimethoxy-3-[(4-nitrophenyl)methyl]-2,3-dihydro-1H-3-benzazepin-2-one
CAS Number:
866135-95-7
Molecular Formula:
C19H18N2O5
Molecular Weight:
354.3566
MDL Number:
MFCD05256331
IUPAC Name:
7,8-dimethoxy-3-[(4-nitrophenyl)methyl]-1H-3-benzazepin-2-one
InChI:
InChI=1S/C19H18N2O5/c1-25-17-9-14-7-8-20(19(22)11-15(14)10-18(17)26-2)12-13-3-5-16(6-4-13)21(23)24/h3-10H,11-12H2,1-2H3
InChI Key:
ZPGAKFJCFLOHRL-UHFFFAOYSA-N
SMILES:
COc1cc2C=CN(C(=O)Cc2cc1OC)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.122g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.362g/mol
Monoisotopic Mass:
354.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.