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2,4-Dibromo-5-methylaniline

CAT: 0926-SCA64351-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-SCA64351-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67643-51-0
MDL Number
MFCD00234284
Smiles
CC1=CC (=C (C=C1Br) Br) N
Molecular Formula
C7H7Br2N
Molecular Weight
264.94 g/mol
Controlled
No

Chemical Information

2,4-Dibromo-5-methylaniline
CAS Number67643-51-0
PubChem CID817220
IUPAC Name2,4-dibromo-5-methylaniline
Molecular FormulaC7H7Br2N
Molecular Weight264.94
XLogP3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity118
SMILES
CC1=CC(=C(C=C1Br)Br)N
InChI
InChI=1S/C7H7Br2N/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3
InChIKey
LOTJCUXBWOAEDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dibromo-5-methylaniline
CAS: 67643-51-0
CID: 817220
Formula: C7H7Br2N
MW: 264.94
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.94
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass264.89247
Monoisotopic Mass262.89452
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity118
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

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