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99978-99-1 | Phenol, 2-[[(3,5-dibromo-2-pyridinyl)imino]methyl]-
CAS No: 99978-99-1 Catalog No: AG003VKW MDL No:
Product Description
Catalog Number:
AG003VKW
Chemical Name:
Phenol, 2-[[(3,5-dibromo-2-pyridinyl)imino]methyl]-
CAS Number:
99978-99-1
Molecular Formula:
C12H8Br2N2O
Molecular Weight:
356.0127
IUPAC Name:
2-[(3,5-dibromopyridin-2-yl)iminomethyl]phenol
InChI:
InChI=1S/C12H8Br2N2O/c13-9-5-10(14)12(16-7-9)15-6-8-3-1-2-4-11(8)17/h1-7,17H
InChI Key:
VIIDAGUZSOKXOC-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)Br)N=Cc1ccccc1O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.898g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.017g/mol
Monoisotopic Mass:
353.9g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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