N-Nitroso Indoline

CAT: 1596-AR-I03651-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03651-02Size:25 Units

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CAS Number

7633-57-0

Synonyms

1-nitrosoindoline

Molecular Formula

C8H8N2O

Molecular Weight

148.17

API Name

Indole

Chemical Information

1-Nitrosoindoline

CAS Number	7633-57-0
PubChem CID	24274
IUPAC Name	1-nitroso-2,3-dihydroindole
Molecular Formula	C8H8N2O
Molecular Weight	148.16
XLogP	1.8
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	160

SMILES

C1CN(C2=CC=CC=C21)N=O

InChI

InChI=1S/C8H8N2O/c11-9-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2

InChIKey

QVXPAHMYCSEIMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7633-57-0

CID: 24274

Formula: C8H8N2O

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	148.063662883
Monoisotopic Mass	148.063662883
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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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