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2-Bromo-4,6-dimethylaniline

CAT: 0024-sc-254170Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-254170Size:1 g
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CAS Number
41825-73-4

Chemical Information

2-Bromo-4,6-dimethylaniline
CAS Number41825-73-4
PubChem CID170579
IUPAC Name2-bromo-4,6-dimethylaniline
Molecular FormulaC8H10BrN
Molecular Weight200.08
XLogP2.7
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity116
SMILES
CC1=CC(=C(C(=C1)Br)N)C
InChI
InChI=1S/C8H10BrN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
InChIKey
YOSJCQJJIHEUKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-4,6-dimethylaniline
CAS: 41825-73-4
CID: 170579
Formula: C8H10BrN
MW: 200.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight200.08
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass198.99966
Monoisotopic Mass198.99966
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes