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129968-11-2 | Benzenamine, 2-bromo-5-methoxy-, hydrochloride (1:1)
CAS No: 129968-11-2 Catalog No: AG000TTW MDL No:MFCD00070741
Product Description
Catalog Number:
AG000TTW
Chemical Name:
Benzenamine, 2-bromo-5-methoxy-, hydrochloride (1:1)
CAS Number:
129968-11-2
Molecular Formula:
C7H9BrClNO
Molecular Weight:
238.5095
MDL Number:
MFCD00070741
IUPAC Name:
2-bromo-5-methoxyaniline;hydrochloride
InChI:
InChI=1S/C7H8BrNO.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H
InChI Key:
UTLMWQABYASJPQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)N)Br.Cl
EC Number:
603-375-4
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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