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2-Bromo-4-nitroaniline

CAT: 0572-TRC-B687655-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687655-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13296-94-1
Synonyms
1-Amino-2-bromo-4-nitrobenzene; 2-Amino-5-nitrophenyl Bromide; 4-Nitro-2-bromoaniline; NSC 28330
Hazard Statement
No Data Available
Smiles
Nc1ccc(cc1Br)[N+](=O)[O-]
Molecular Formula
C6H5BrN2O2
Molecular Weight
217.02
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzenamine, 2-bromo-4-nitro-
CAS Number13296-94-1
PubChem CID25840
IUPAC Name2-bromo-4-nitroaniline
Molecular FormulaC6H5BrN2O2
Molecular Weight217.02
XLogP2.3
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity159
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Br)N
InChI
InChI=1S/C6H5BrN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
InChIKey
CGPPWNTVTNCHDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenamine, 2-bromo-4-nitro-
CAS: 13296-94-1
CID: 25840
Formula: C6H5BrN2O2
MW: 217.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.02
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass215.95344
Monoisotopic Mass215.95344
Topological Polar Surface Area71.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity159
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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