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876018-00-7 | Benzenamine, compd. with tetrahydrofuran (1:2)
CAS No: 876018-00-7 Catalog No: AG004I35 MDL No:
Product Description
Catalog Number:
AG004I35
Chemical Name:
Benzenamine, compd. with tetrahydrofuran (1:2)
CAS Number:
876018-00-7
Molecular Formula:
C14H23NO2
Molecular Weight:
237.3379
IUPAC Name:
aniline;oxolane
InChI:
InChI=1S/C6H7N.2C4H8O/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1/h1-5H,7H2;2*1-4H2
InChI Key:
PGORMEJVVDOHDZ-UHFFFAOYSA-N
SMILES:
C1CCCO1.C1CCCO1.Nc1ccccc1
Properties
Complexity:
69
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.343g/mol
Monoisotopic Mass:
237.173g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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