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Home > Nitro Compounds > 1097784-29-6
1097784-29-6 | 1-(4-methyl-2-nitrophenyl)-1,4-diazepane
CAS No: 1097784-29-6 Catalog No: AG00JVEF MDL No:
Product Description
Catalog Number:
AG00JVEF
Chemical Name:
1-(4-methyl-2-nitrophenyl)-1,4-diazepane
CAS Number:
1097784-29-6
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
IUPAC Name:
1-(4-methyl-2-nitrophenyl)-1,4-diazepane
InChI:
InChI=1S/C12H17N3O2/c1-10-3-4-11(12(9-10)15(16)17)14-7-2-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3
InChI Key:
VWXSMGZQRFRWML-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])N1CCNCCC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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