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73603-46-0 | Benzenemethanaminium,4-benzoyl-N,N,N-triethyl-, bromide (1:1)
CAS No: 73603-46-0 Catalog No: AG005CNX MDL No:
Product Description
Catalog Number:
AG005CNX
Chemical Name:
Benzenemethanaminium,4-benzoyl-N,N,N-triethyl-, bromide (1:1)
CAS Number:
73603-46-0
Molecular Formula:
C20H26BrNO
Molecular Weight:
376.3305
IUPAC Name:
(4-benzoylphenyl)methyl-triethylazanium;bromide
InChI:
InChI=1S/C20H26NO.BrH/c1-4-21(5-2,6-3)16-17-12-14-19(15-13-17)20(22)18-10-8-7-9-11-18;/h7-15H,4-6,16H2,1-3H3;1H/q+1;/p-1
InChI Key:
BMOGAGVZDKGFAT-UHFFFAOYSA-M
SMILES:
CC[N+](Cc1ccc(cc1)C(=O)c1ccccc1)(CC)CC.[Br-]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.12g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.338g/mol
Monoisotopic Mass:
375.12g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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