SU 4942

CAT: 0926-BDA08699-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-BDA08699-01Size:5 mg

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

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CAS Number

76086-99-2

Smiles

C1=CC=C2C (=C1) C (=CC3=CC=C (C=C3) Br) C (=O) N2

Molecular Formula

C15H10BrNO

Molecular Weight

300.16 g/mol

Controlled

Chemical Information

(3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one

CAS Number	76086-99-2
PubChem CID	964113
IUPAC Name	(3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one
Molecular Formula	C15H10BrNO
Molecular Weight	300.15
XLogP	3.6
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	358

SMILES

C1=CC=C2C(=C1)/C(=C/C3=CC=C(C=C3)Br)/C(=O)N2

InChI

InChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-

InChIKey

INAOSTJXLBNFMV-LCYFTJDESA-N

Chemical Structure

2D Structure

CAS: 76086-99-2

CID: 964113

Formula: C15H10BrNO

MW: 300.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.15
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	298.99458
Monoisotopic Mass	298.99458
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	358
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes