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676229-28-0 | Benzenamine, compd. with methylbenzene (1:1)
CAS No: 676229-28-0 Catalog No: AG005LKV MDL No:
Product Description
Catalog Number:
AG005LKV
Chemical Name:
Benzenamine, compd. with methylbenzene (1:1)
CAS Number:
676229-28-0
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
aniline;toluene
InChI:
InChI=1S/C7H8.C6H7N/c1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5H,7H2
InChI Key:
ZYIFLKPDFLWFAE-UHFFFAOYSA-N
SMILES:
Cc1ccccc1.Nc1ccccc1
Properties
Complexity:
88.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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