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Home > Nitro Compounds > 443295-30-5
443295-30-5 | 1-(4-nitrobenzoyl)-1,2-diazinane
CAS No: 443295-30-5 Catalog No: AG00IWZZ MDL No:MFCD13193114
Product Description
Catalog Number:
AG00IWZZ
Chemical Name:
1-(4-nitrobenzoyl)-1,2-diazinane
CAS Number:
443295-30-5
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
MDL Number:
MFCD13193114
IUPAC Name:
diazinan-1-yl-(4-nitrophenyl)methanone
InChI:
InChI=1S/C11H13N3O3/c15-11(13-8-2-1-7-12-13)9-3-5-10(6-4-9)14(16)17/h3-6,12H,1-2,7-8H2
InChI Key:
PVERFKIXBCALFK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCCN1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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