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137469-70-6 | Benzenemethanamine, 5-bromo-2-methoxy-N-methyl-
CAS No: 137469-70-6 Catalog No: AG0013BR MDL No:MFCD02040868
Product Description
Catalog Number:
AG0013BR
Chemical Name:
Benzenemethanamine, 5-bromo-2-methoxy-N-methyl-
CAS Number:
137469-70-6
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD02040868
IUPAC Name:
1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
InChI:
InChI=1S/C9H12BrNO/c1-11-6-7-5-8(10)3-4-9(7)12-2/h3-5,11H,6H2,1-2H3
InChI Key:
ULRBLFXZOFZHLD-UHFFFAOYSA-N
SMILES:
CNCc1cc(Br)ccc1OC
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.105g/mol
Monoisotopic Mass:
229.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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