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102397-36-4 | Benzenaminium, N-methylidyne-
CAS No: 102397-36-4 Catalog No: AG0007CA MDL No:
Product Description
Catalog Number:
AG0007CA
Chemical Name:
Benzenaminium, N-methylidyne-
CAS Number:
102397-36-4
Molecular Formula:
C7H6N+
Molecular Weight:
104.1292
IUPAC Name:
methylidyne(phenyl)azanium
InChI:
InChI=1S/C7H6N/c1-8-7-5-3-2-4-6-7/h1-6H/q+1
InChI Key:
SQJVPMNTLGHXJL-UHFFFAOYSA-N
SMILES:
C#[N+]c1ccccc1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.05g/mol
Formal Charge:
1
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.132g/mol
Monoisotopic Mass:
104.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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