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Home > Imidazoles > 77234-68-5
77234-68-5 | N-((4-Nitrobenzoyl)methyl)imidazole hydrochloride
CAS No: 77234-68-5 Catalog No: AG008NJR MDL No:
Product Description
Catalog Number:
AG008NJR
Chemical Name:
N-((4-Nitrobenzoyl)methyl)imidazole hydrochloride
CAS Number:
77234-68-5
Molecular Formula:
C11H10ClN3O3
Molecular Weight:
267.6684
IUPAC Name:
2-imidazol-1-yl-1-(4-nitrophenyl)ethanone;hydrochloride
InChI:
InChI=1S/C11H9N3O3.ClH/c15-11(7-13-6-5-12-8-13)9-1-3-10(4-2-9)14(16)17;/h1-6,8H,7H2;1H
InChI Key:
UWMYYVKXEQTENE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Cn1cncc1.Cl
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.669g/mol
Monoisotopic Mass:
267.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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