3,6-Dichlorocarbazole

CAT: 0926-FD62821Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FD62821Size:1 g

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CAS Number

5599-71-3

MDL Number

MFCD00218271

Smiles

C1=CC2=C (C=C1Cl) C3=C (N2) C=CC (=C3) Cl

Molecular Formula

C12H7Cl2N

Molecular Weight

236.1 g/mol

Controlled

Chemical Information

3,6-Dichlorocarbazole

from Bavarian soil; structure in first source

CAS Number	5599-71-3
PubChem CID	236487
IUPAC Name	3,6-dichloro-9H-carbazole
Molecular Formula	C12H7Cl2N
Molecular Weight	236.09
XLogP	5.4
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	222

SMILES

C1=CC2=C(C=C1Cl)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C12H7Cl2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H

InChIKey

BIMDTNQPZWJKPL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5599-71-3

CID: 236487

Formula: C12H7Cl2N

MW: 236.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.09
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	234.9955546
Monoisotopic Mass	234.9955546
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	222
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
UXB76543-01	6,6,6-Trifluorohexan-3-one
BBA59341-01	6,6-diethyl 2-oxaspiro[3.3]heptane-6,6-dicarboxylate
NKD41479-01	3- (Aminomethyl) -6,6,6-trifluorohexan-3-ol hydrochloride
CAA16624	3,6-Dimethyl pyridazine-3,6-dicarboxylate
APD15417-01	6Λ6-Thia-1-azaspiro[3.3]heptane-6,6-dione hydrochloride
XT182998-01	3,6,3'-Trimethoxyflavone
MCC45713-01	6,6-Dimethylmorpholin-3-one
NGA71465-01	Ethyl 6,6,6-trifluoro-3-oxohexanoate
PDA61423-01	1,2,3,6-Tetrahydrophthalic anhydride-3,3,4,5,6,6-d6
DVD50351-01	6,6-Dimethylspiro[3.3]heptan-2-ol

Catalog	Name
OR8073-01	3,6-Dichlorocarbazole
OR1033866-01	1-Bromo-3,6-dichlorocarbazole
OR1035153-01	1,8-Dibromo-3,6-dichlorocarbazole
sc-268322	6,6'-Dibromo-3,3'-bipyridine
426822-01	3,3'-Bipyridine-6,6'-dicarbonitrile
JH919680	6,6'-diformyl-3,3'-bipyridine
sc-268323	6,6'-Dichloro-3,3'-bipyridine
OR310261	6,6'-Dibromo-3,3'bipyridine
OR81662-01	[3,3'-Bipyridine]-6,6'-dicarboxaldehyde
OR1055265-01	[3,3'-Bipyridine]-6,6'-diamine