LDN-0088050 100mg

CAT: 0628-A20415-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A20415-100Size:100 mg

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CAS Number

353484-30-7

Chemical Information

2-Bromo-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-7-carboxylic acid

CAS Number	353484-30-7
PubChem CID	2859016
IUPAC Name	10-bromo-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene-2-carboxylic acid
Molecular Formula	C19H18BrNO2
Molecular Weight	372.3
XLogP	4.2
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	588

SMILES

C1C=CC2C1CN3C(C4CC=CC4C5=CC(=CC2=C53)Br)C(=O)O

InChI

InChI=1S/C19H18BrNO2/c20-11-7-15-12-4-1-3-10(12)9-21-17(15)16(8-11)13-5-2-6-14(13)18(21)19(22)23/h1-2,4-5,7-8,10,12-14,18H,3,6,9H2,(H,22,23)

InChIKey

LBDYSHXIVYPQCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 353484-30-7

CID: 2859016

Formula: C19H18BrNO2

MW: 372.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.3
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	371.05209
Monoisotopic Mass	371.05209
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	588
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes