CAY10606

CAT: 1596-AR-C06430-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06430-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1159576-98-3

Synonyms

Ethyl 2- (3-chlorobenzyl) -5-hydroxy-1H-benzo[g]indole-3-carboxylate

Molecular Formula

C22H18ClNO3

Molecular Weight

379.84

API Name

Cay10606

Chemical Information

ethyl 2-[(3-chlorophenyl)methyl]-5-hydroxy-1H-benzo[g]indole-3-carboxylate

CAS Number	1159576-98-3
PubChem CID	44157725
IUPAC Name	ethyl 2-[(3-chlorophenyl)methyl]-5-hydroxy-1H-benzo[g]indole-3-carboxylate
Molecular Formula	C22H18ClNO3
Molecular Weight	379.8
XLogP	5.7
Topological Polar Surface Area	62.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	530

SMILES

CCOC(=O)C1=C(NC2=C1C=C(C3=CC=CC=C32)O)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-17-12-19(25)15-8-3-4-9-16(15)21(17)24-18(20)11-13-6-5-7-14(23)10-13/h3-10,12,24-25H,2,11H2,1H3

InChIKey

UNDGVXYIMIZWAS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1159576-98-3

CID: 44157725

Formula: C22H18ClNO3

MW: 379.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	379.8
XLogP3	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	379.0975211
Monoisotopic Mass	379.0975211
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	530
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
T37353-01	CAY10606