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137718-76-4 | Phenol, 2-bromo-6-methoxy-3-[(methylamino)methyl]-
CAS No: 137718-76-4 Catalog No: AG0013R5 MDL No:
Product Description
Catalog Number:
AG0013R5
Chemical Name:
Phenol, 2-bromo-6-methoxy-3-[(methylamino)methyl]-
CAS Number:
137718-76-4
Molecular Formula:
C9H12BrNO2
Molecular Weight:
246.1011
IUPAC Name:
2-bromo-6-methoxy-3-(methylaminomethyl)phenol
InChI:
InChI=1S/C9H12BrNO2/c1-11-5-6-3-4-7(13-2)9(12)8(6)10/h3-4,11-12H,5H2,1-2H3
InChI Key:
JZRKOHIFYOVXMG-UHFFFAOYSA-N
SMILES:
CNCc1ccc(c(c1Br)O)OC
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.104g/mol
Monoisotopic Mass:
245.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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