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2,5-dibromoaniline

CAT: 1731-FH 1W 0043-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1731-FH 1W 0043-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3638-73-1
MDL Number
MFCD00007636
Purity
0.95
Smiles
Nc1cc (Br) ccc1Br
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

2,5-Dibromoaniline

structure in first source

CAS Number3638-73-1
PubChem CID77198
IUPAC Name2,5-dibromoaniline
Molecular FormulaC6H5Br2N
Molecular Weight250.92
XLogP2.6
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity97
SMILES
C1=CC(=C(C=C1Br)N)Br
InChI
InChI=1S/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey
WRTAZRGRFBCKBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dibromoaniline
CAS: 3638-73-1
CID: 77198
Formula: C6H5Br2N
MW: 250.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.92
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass250.87682
Monoisotopic Mass248.87887
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
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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