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1379326-65-4 | Benzeneethanimidamide, 3-bromo-4-hydroxy-5-methoxy-
CAS No: 1379326-65-4 Catalog No: AG001457 MDL No:
Product Description
Catalog Number:
AG001457
Chemical Name:
Benzeneethanimidamide, 3-bromo-4-hydroxy-5-methoxy-
CAS Number:
1379326-65-4
Molecular Formula:
C9H11BrN2O2
Molecular Weight:
259.0998
IUPAC Name:
2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethanimidamide
InChI:
InChI=1S/C9H11BrN2O2/c1-14-7-3-5(4-8(11)12)2-6(10)9(7)13/h2-3,13H,4H2,1H3,(H3,11,12)
InChI Key:
SLRPTIBWCGTTLL-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=N)N)cc(c1O)Br
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.103g/mol
Monoisotopic Mass:
258g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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