2-Bromo-N-cyclobutylaniline

CAT: 0926-YZB31308-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-YZB31308-01Size:50 mg

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CAS Number

1248313-08-7

MDL Number

MFCD16107959

Smiles

C1CC (C1) NC2=CC=CC=C2Br

Molecular Formula

C10H12BrN

Molecular Weight

226.11 g/mol

Controlled

Chemical Information

2-bromo-N-cyclobutylaniline

CAS Number	1248313-08-7
PubChem CID	61778892
IUPAC Name	2-bromo-N-cyclobutylaniline
Molecular Formula	C10H12BrN
Molecular Weight	226.11
XLogP	3.5
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	145

SMILES

C1CC(C1)NC2=CC=CC=C2Br

InChI

InChI=1S/C10H12BrN/c11-9-6-1-2-7-10(9)12-8-4-3-5-8/h1-2,6-8,12H,3-5H2

InChIKey

JBFPNYCXEMRSHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1248313-08-7

CID: 61778892

Formula: C10H12BrN

MW: 226.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.11
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	225.01531
Monoisotopic Mass	225.01531
Topological Polar Surface Area	12 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145
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
XZB19213-01	4-Bromo-2-chloro-N-cyclobutylaniline
FGA34290-01	N-Cyclobutylaniline
XLD56951-01	2-Cyclobutylaniline hydrochloride
FC157860-01	4-Cyclobutylaniline
DEC85458-01	3-Cyclobutylaniline
FUD38523-01	4-Cyclobutylaniline hydrochloride
NAA88750-01	2-Bromo-N, N,2-trimethylpropanamide
FB130388-01	2-Bromo-N, N-dimethylisonicotinamide
AAA69800	2-Bromo-N, N-dimethylaniline
FB169385-01	2-Bromo-N, N-diphenylethanamide

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