4-Chloro-7-azaindole

CAT: 0926-FC13680-01Size: 0.01 kgDry Ice: NoHazardous: No

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CAT#:0926-FC13680-01Size:0.01 kg

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CAS Number

55052-28-3

MDL Number

MFCD08272232

Smiles

C1=CNC2=NC=CC (=C21) Cl

Molecular Formula

C7H5N2Cl

Molecular Weight

152.58 g/mol

Controlled

Chemical Information

4-Chloro-1H-pyrrolo[2,3-b]pyridine

CAS Number	55052-28-3
PubChem CID	11389493
IUPAC Name	4-chloro-1H-pyrrolo[2,3-b]pyridine
Molecular Formula	C7H5ClN2
Molecular Weight	152.58
XLogP	1.9
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

C1=CNC2=NC=CC(=C21)Cl

InChI

InChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)

InChIKey

HNTZVGMWXCFCTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55052-28-3

CID: 11389493

Formula: C7H5ClN2

MW: 152.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.58
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	152.0141259
Monoisotopic Mass	152.0141259
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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

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