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159662-73-4 | Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, bromide (9CI)
CAS No: 159662-73-4 Catalog No: AG001RAL MDL No:
Product Description
Catalog Number:
AG001RAL
Chemical Name:
Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, bromide (9CI)
CAS Number:
159662-73-4
Molecular Formula:
C10H16BrNO3
Molecular Weight:
278.1429
IUPAC Name:
trimethyl-[(2,3,6-trihydroxyphenyl)methyl]azanium;bromide
InChI:
InChI=1S/C10H15NO3.BrH/c1-11(2,3)6-7-8(12)4-5-9(13)10(7)14;/h4-5H,6H2,1-3H3,(H2-,12,13,14);1H
InChI Key:
UKPGQPPNPZUPQM-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1C[N+](C)(C)C)O)O.[Br-]
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.146g/mol
Monoisotopic Mass:
277.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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