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CAT: 0926-DCA17712-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-DCA17712-01Size:10 mg

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CAS Number

53177-12-1

MDL Number

MFCD00933789

Smiles

C1=CC=C (C (=C1) C=NCCN=CC2=CC=CC=C2[O-]) [O-].[Cl-].[Mn+3]

Molecular Formula

C16H14ClMnN2O2

Molecular Weight

356.69 g/mol

Controlled

Chemical Information

N,N'-Bis(salicylideneamino)ethane-manganese(II)

CAS Number	53177-12-1
PubChem CID	171249
IUPAC Name	manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;chloride
Molecular Formula	C16H14ClMnN2O2
Molecular Weight	356.68
Topological Polar Surface Area	70.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	298

SMILES

C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2[O-])[O-].[Cl-].[Mn+3]

InChI

InChI=1S/C16H16N2O2.ClH.Mn/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;;/h1-8,11-12,19-20H,9-10H2;1H;/q;;+3/p-3

InChIKey

HBQGFROGWOHBAG-UHFFFAOYSA-K

Chemical Structure

2D Structure

CAS: 53177-12-1

CID: 171249

Formula: C16H14ClMnN2O2

MW: 356.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.68
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	356.012423
Monoisotopic Mass	356.012423
Topological Polar Surface Area	70.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	298
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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