1,7-Phenanthroline

CAT: 0127-OR1009291-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1009291-01Size:250 mg

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CAS Number

230-46-6

MDL Number

MFCD06637420

Purity

99%

Smiles

C1cnc2c(c1)ccc3ncccc23

Chemical Information

1,7-Phenanthroline

1,7-phenanthroline is a phenanthroline.

CAS Number	230-46-6
PubChem CID	67473
IUPAC Name	1,7-phenanthroline
Molecular Formula	C12H8N2
Molecular Weight	180.20
XLogP	2.5
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	204

SMILES

C1=CC2=C(C3=C(C=C2)N=CC=C3)N=C1

InChI

InChI=1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H

InChIKey

OZKOMUDCMCEDTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 230-46-6

CID: 67473

Formula: C12H8N2

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	180.068748264
Monoisotopic Mass	180.068748264
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	204
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	1
Compound Is Canonicalized	Yes

Catalog	Name
OR4490-01	[4,7]Phenanthroline
OR74265-01	4,7-Dihydroxy-1,10-phenanthroline
OR315158-01	4,7-Dichloro-1,10-phenanthroline
OR31515-01	4,7-Diphenyl-1,10-phenanthroline
OR72707-01	4,7-Dimethyl-1,10-phenanthroline
OR72706-01	4,7-Dihydroxy-1,10-phenanthroline
OR74689-01	4,7-Dibromo-1,10-phenanthroline
OR1049147-01	1,10-Phenanthroline-4,7-dicarbaldehyde
OR72701-01	4,7-Dibromo-1,10-phenanthroline
OR905864-01	4,7-Dimethoxy-1,10-phenanthroline