2-Methylbenz[c, d]indole

CAT: 0926-FM148927-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FM148927-01Size:50 mg

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CAS Number

40484-49-9

MDL Number

MFCD09033785

Smiles

CC1=NC2=CC=CC3=C2C1=CC=C3

Molecular Formula

C12H9N

Molecular Weight

167.21 g/mol

Controlled

Chemical Information

2-Methylbenzo[cd]indole

CAS Number	40484-49-9
PubChem CID	12733292
IUPAC Name	2-methylbenzo[cd]indole
Molecular Formula	C12H9N
Molecular Weight	167.21
XLogP	2.7
Topological Polar Surface Area	12.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	244

SMILES

CC1=NC2=CC=CC3=C2C1=CC=C3

InChI

InChI=1S/C12H9N/c1-8-10-6-2-4-9-5-3-7-11(13-8)12(9)10/h2-7H,1H3

InChIKey

JNLAQIIRQDATHG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40484-49-9

CID: 12733292

Formula: C12H9N

MW: 167.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.21
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	167.073499291
Monoisotopic Mass	167.073499291
Topological Polar Surface Area	12.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	244
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
MI171854-01	Indole-3-acetyl β-D-glucopyranose
NLA84691	D-Xylose-2-C-D
ND183206-01	1- (2-Deoxy-β-D-erythro-pentofuranosyl) -4-nitro-1H-indole
FI51018-01	1H-Indole-2-carbaldehyde
BAA00927-01	2-Ethoxy-1H-indole
FI02860-01	Indole-2-carboxylic acid
ADA25811-01	2-Ethynyl-1H-indole
DCA65435-01	2-Ethenyl-1H-indole
FAA78495-01	2- (4-Methoxyphenyl) indole
THA68670-01	2-Nitro-1H-indole