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1072945-54-0 | 5-Bromo-2-methoxyaniline hydrochloride
CAS No: 1072945-54-0 Catalog No: AG003MHH MDL No:MFCD10699607
Product Description
Catalog Number:
AG003MHH
Chemical Name:
5-Bromo-2-methoxyaniline hydrochloride
CAS Number:
1072945-54-0
Molecular Formula:
C7H9BrClNO
Molecular Weight:
238.5095
MDL Number:
MFCD10699607
IUPAC Name:
5-bromo-2-methoxyaniline;hydrochloride
InChI:
InChI=1S/C7H8BrNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H
InChI Key:
SUNKHSMCARHIRV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N)Br.Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.956g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.509g/mol
Monoisotopic Mass:
236.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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