Br-DAPI

CAT: 0607-BA3947-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3947-10Size:10 mg

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

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CAS Number

2387906-44-5

Form

A solid

Molecular Formula

C16H14BrN5

Molecular Weight

356.22

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Br-DAPI

CAS Number	2387906-44-5
PubChem CID	162642091
IUPAC Name	3-bromo-2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide
Molecular Formula	C16H14BrN5
Molecular Weight	356.22
XLogP	2.3
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	446

SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)Br)C(=N)N

InChI

InChI=1S/C16H14BrN5/c17-13-11-6-5-10(16(20)21)7-12(11)22-14(13)8-1-3-9(4-2-8)15(18)19/h1-7,22H,(H3,18,19)(H3,20,21)

InChIKey

GSBXNZFEZFIMCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2387906-44-5

CID: 162642091

Formula: C16H14BrN5

MW: 356.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.22
XLogP3	2.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	355.04326
Monoisotopic Mass	355.04326
Topological Polar Surface Area	116 Å²
Heavy Atom Count	22
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