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89059-40-5 | 3,4-Dichloroaniline-13C6
CAS No: 89059-40-5 Catalog No: AG00412Q MDL No:
Product Description
Catalog Number:
AG00412Q
Chemical Name:
3,4-Dichloroaniline-13C6
CAS Number:
89059-40-5
Molecular Formula:
C6H5Cl2N
Molecular Weight:
167.9725
IUPAC Name:
3,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
InChI:
InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key:
SDYWXFYBZPNOFX-IDEBNGHGSA-N
SMILES:
N[13c]1[13cH][13cH][13c]([13c]([13cH]1)Cl)Cl
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
6
Molecular Weight:
167.967g/mol
Monoisotopic Mass:
167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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