P7C3-A20

CAT: 1299-RG-A263578-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A263578-02Size:25 mg

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CAS Number

1235481-90-9

Synonyms

N- (3- (3,6-dibromo-9H-carbazol-9-yl) -2-fluoropropyl) -3-methoxyaniline

Molecular Formula

C22H19Br2FN2O

Molecular Weight

506.21

Product Name Synonym

N- (3- (3,6-dibromo-9H-carbazol-9-yl) -2-fluoropropyl) -3-methoxyaniline

Chemical Information

N-(3-(3,6-dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-3-methoxyaniline

CAS Number	1235481-90-9
PubChem CID	46853447
IUPAC Name	N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline
Molecular Formula	C22H19Br2FN2O
Molecular Weight	506.2
XLogP	6.7
Topological Polar Surface Area	26.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	487

SMILES

COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)F

InChI

InChI=1S/C22H19Br2FN2O/c1-28-18-4-2-3-17(11-18)26-12-16(25)13-27-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)27/h2-11,16,26H,12-13H2,1H3

InChIKey

XNLTWMQBJFWQOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1235481-90-9

CID: 46853447

Formula: C22H19Br2FN2O

MW: 506.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	506.2
XLogP3	6.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	505.98277
Monoisotopic Mass	503.98482
Topological Polar Surface Area	26.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-G020265-01	Gibberellin A20
RM-G020996-01	Gibberellin A20