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1215205-12-1 | Benzenamine, 3-bromo-4-methoxy-5-methyl-, hydrochloride (1:1)
CAS No: 1215205-12-1 Catalog No: AG00154P MDL No:MFCD16618926
Product Description
Catalog Number:
AG00154P
Chemical Name:
Benzenamine, 3-bromo-4-methoxy-5-methyl-, hydrochloride (1:1)
CAS Number:
1215205-12-1
Molecular Formula:
C8H11BrClNO
Molecular Weight:
252.5360
MDL Number:
MFCD16618926
IUPAC Name:
3-bromo-4-methoxy-5-methylaniline
InChI:
InChI=1S/C8H10BrNO/c1-5-3-6(10)4-7(9)8(5)11-2/h3-4H,10H2,1-2H3
InChI Key:
HLQONICLKZVZRN-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1Br)N.Cl
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.078g/mol
Monoisotopic Mass:
214.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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