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2-Chloro-5-nitroaniline

CAT: 0926-FC70430-01Size: 500 gDry Ice: NoHazardous: No
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CAT#:0926-FC70430-01Size:500 g
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CAS Number
6283-25-6
MDL Number
MFCD00007668
Smiles
C1=CC (=C (C=C1[N+] (=O) [O-]) N) Cl
Molecular Formula
C6H5ClN2O2
Molecular Weight
172.57 g/mol
Controlled
No

Chemical Information

2-Chloro-5-nitroaniline
CAS Number6283-25-6
PubChem CID22691
IUPAC Name2-chloro-5-nitroaniline
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57
XLogP2.1
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-])N)Cl
InChI
InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
InChIKey
KWIXNFOTNVKIGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-nitroaniline
CAS: 6283-25-6
CID: 22691
Formula: C6H5ClN2O2
MW: 172.57
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.57
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass172.0039551
Monoisotopic Mass172.0039551
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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