ML67-33

CAT: 1266-JH913774Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH913774Size:1 Each

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CAS Number

1443290-89-8

Molecular Formula

C18H17Cl2N5

Molecular Weight

374.27

Chemical Information

2,7-Dichloro-9,9-dimethyl-10-[2-(1H-tetrazol-5-yl)-ethyl]-9,10-dihydro-acridine

CAS Number	1443290-89-8
PubChem CID	86272454
IUPAC Name	2,7-dichloro-9,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine
Molecular Formula	C18H17Cl2N5
Molecular Weight	374.3
XLogP	5.3
Topological Polar Surface Area	57.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	446

SMILES

CC1(C2=C(C=CC(=C2)Cl)N(C3=C1C=C(C=C3)Cl)CCC4=NNN=N4)C

InChI

InChI=1S/C18H17Cl2N5/c1-18(2)13-9-11(19)3-5-15(13)25(8-7-17-21-23-24-22-17)16-6-4-12(20)10-14(16)18/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,23,24)

InChIKey

GQPMJOXQJUGJPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1443290-89-8

CID: 86272454

Formula: C18H17Cl2N5

MW: 374.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	374.3
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	373.0861010
Monoisotopic Mass	373.0861010
Topological Polar Surface Area	57.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	446
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
JH198301	4- (24,33-pentaoxol-2-yl) -11,24-tetraoxidan-2-one
JH919466	3-Bromobenzo[1,2-b:4,5-b′]bisbenzofuran (22543465-33-8)
JH741241	(OC-6-33) -Bis[3,5-difluoro-2- (2-pyridinyl-kN) phenyl-kC][tetrakis (1H-pyrazolato-kN1) borato (1-) -kN2, kN2']-iridium
JH919982	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105,108,111,114,117,120,123,126,129,132-Tetratetracontaoxatetratriacontahectane-1,134-diol