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531-57-7 | Azure C
CAS No: 531-57-7 Catalog No: AG003NYF MDL No:MFCD00067677
Product Description
Catalog Number:
AG003NYF
Chemical Name:
Azure C
CAS Number:
531-57-7
Molecular Formula:
C13H12ClN3S
Molecular Weight:
277.7725
MDL Number:
MFCD00067677
IUPAC Name:
7-methyliminophenothiazin-10-ium-3-amine;chloride
InChI:
InChI=1S/C13H11N3S.ClH/c1-15-9-3-5-11-13(7-9)17-12-6-8(14)2-4-10(12)16-11;/h2-7H,14H2,1H3;1H
InChI Key:
DDGMDTGNGDOUPX-UHFFFAOYSA-N
SMILES:
CNc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.[Cl-]
EC Number:
208-512-8
UNII:
JGC8OHD9Z9
NSC Number:
16165
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.77g/mol
Monoisotopic Mass:
277.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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