UF010

CAT: 0127-BUP13924-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13924-03Size:100 mg

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

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CAS Number

537672-41-6

Purity

=98%

Smiles

CCCCNNC(=O)c1ccc(Br)cc1

Chemical Information

UF010

CAS Number	537672-41-6
PubChem CID	4596836
IUPAC Name	4-bromo-N'-butylbenzohydrazide
Molecular Formula	C11H15BrN2O
Molecular Weight	271.15
XLogP	2.9
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	191

SMILES

CCCCNNC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C11H15BrN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)

InChIKey

BVQCFCYPFJOOAV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 537672-41-6

CID: 4596836

Formula: C11H15BrN2O

MW: 271.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.15
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	270.03678
Monoisotopic Mass	270.03678
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191
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