3-bromo-N,2-dimethylaniline

CAT: 0127-OR1080910-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1080910-01Size:250 mg

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CAS Number

1187928-43-3

MDL Number

MFCD09999774

Purity

97%

Smiles

C1 (cccc (c1C) NC) Br

Chemical Information

3-bromo-N,2-dimethylaniline

CAS Number	1187928-43-3
PubChem CID	59956330
IUPAC Name	3-bromo-N,2-dimethylaniline
Molecular Formula	C8H10BrN
Molecular Weight	200.08
XLogP	3
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

CC1=C(C=CC=C1Br)NC

InChI

InChI=1S/C8H10BrN/c1-6-7(9)4-3-5-8(6)10-2/h3-5,10H,1-2H3

InChIKey

DYYFHZBNCJLKJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1187928-43-3

CID: 59956330

Formula: C8H10BrN

MW: 200.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.08
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	198.99966
Monoisotopic Mass	198.99966
Topological Polar Surface Area	12 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
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
OR3746-01	3-Bromo-N, N-dimethylaniline
OR4343-01	2-Bromo-N, N-dimethylaniline
PC501431	2-Bromo-3-fluoro-N, N-dimethylaniline
PC501421	3-Bromo-2-fluoro-N, N-dimethylaniline
OR1101069	5-bromo-N,2-dimethylaniline
OR1038838-01	4-Bromo-n,3-dimethylaniline
OR90602-01	2-Bromo-N,4-dimethylaniline
OR73144-01	5-Bromo-2,3-dimethylaniline
OR70330-01	3-Bromo-2,5-dimethylaniline
OR1057002-01	2-Bromo-3,6-dimethylaniline