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Home > Nitro Compounds > 1135283-09-8
1135283-09-8 | 1-(4-nitrobenzoyl)-1,2-diazepane
CAS No: 1135283-09-8 Catalog No: AG00ITMX MDL No:MFCD11840984
Product Description
Catalog Number:
AG00ITMX
Chemical Name:
1-(4-nitrobenzoyl)-1,2-diazepane
CAS Number:
1135283-09-8
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD11840984
IUPAC Name:
diazepan-1-yl-(4-nitrophenyl)methanone
InChI:
InChI=1S/C12H15N3O3/c16-12(14-9-3-1-2-8-13-14)10-4-6-11(7-5-10)15(17)18/h4-7,13H,1-3,8-9H2
InChI Key:
VOJPVCYTWXJKJB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCCCN1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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