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887582-17-4 | Benzenemethanamine,5-bromo-2,4-dimethoxy-
CAS No: 887582-17-4 Catalog No: AG004BYV MDL No:
Product Description
Catalog Number:
AG004BYV
Chemical Name:
Benzenemethanamine,5-bromo-2,4-dimethoxy-
CAS Number:
887582-17-4
Molecular Formula:
C9H12BrNO2
Molecular Weight:
246.1011
IUPAC Name:
(5-bromo-2,4-dimethoxyphenyl)methanamine
InChI:
InChI=1S/C9H12BrNO2/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-4H,5,11H2,1-2H3
InChI Key:
NPGUBLJDXVPKDN-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1CN)Br
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:
1
Isotope Atom Count:
0
Molecular Weight:
246.104g/mol
Monoisotopic Mass:
245.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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