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2,6-Dichloro-3-methylaniline

CAT: 0572-TRC-D435330-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D435330-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64063-37-2
Synonyms
2,6-Dichloro-3-methyl-benzenamine;
Hazard Statement
No Data Available
Smiles
Cc1ccc(Cl)c(N)c1Cl
Molecular Formula
C7H7Cl2N
Molecular Weight
176.04
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,6-Dichloro-3-methylaniline
CAS Number64063-37-2
PubChem CID116529
IUPAC Name2,6-dichloro-3-methylaniline
Molecular FormulaC7H7Cl2N
Molecular Weight176.04
XLogP2.9
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity118
SMILES
CC1=C(C(=C(C=C1)Cl)N)Cl
InChI
InChI=1S/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3
InChIKey
AYVZXDFCFQSWJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dichloro-3-methylaniline
CAS: 64063-37-2
CID: 116529
Formula: C7H7Cl2N
MW: 176.04
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight176.04
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass174.9955546
Monoisotopic Mass174.9955546
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