1-Fluoro-9H-Carbazole

CAT: 0127-PC109129-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC109129-01Size:100 mg

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CAS Number

391-26-4

Synonyms

1-fluoro-9H-carbazole

Purity

95%

Smiles

C1=CC=C2C(=C1)C3=C(N2)C(=CC=C3)F

Chemical Information

1-fluoro-9H-carbazole

CAS Number	391-26-4
PubChem CID	55273328
IUPAC Name	1-fluoro-9H-carbazole
Molecular Formula	C12H8FN
Molecular Weight	185.20
XLogP	3.8
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	218

SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=CC=C3)F

InChI

InChI=1S/C12H8FN/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,14H

InChIKey

HPJCIBVGJBEJPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 391-26-4

CID: 55273328

Formula: C12H8FN

MW: 185.20

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	185.20
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	185.064077422
Monoisotopic Mass	185.064077422
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	218
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