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Home > Nitro Compounds > 892491-96-2
892491-96-2 | 1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane
CAS No: 892491-96-2 Catalog No: AG00IFM1 MDL No:MFCD12964044
Product Description
Catalog Number:
AG00IFM1
Chemical Name:
1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane
CAS Number:
892491-96-2
MDL Number:
MFCD12964044
IUPAC Name:
1-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]ethanone
InChI:
InChI=1S/C13H17N3O3/c1-11(17)14-7-2-8-15(10-9-14)12-3-5-13(6-4-12)16(18)19/h3-6H,2,7-10H2,1H3
InChI Key:
RXNBFXGPYBPOCL-UHFFFAOYSA-N
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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