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116557-46-1 | Benzenamine, 3-bromo-2-methoxy-
CAS No: 116557-46-1 Catalog No: AG000CS8 MDL No:MFCD13186737
Product Description
Catalog Number:
AG000CS8
Chemical Name:
Benzenamine, 3-bromo-2-methoxy-
CAS Number:
116557-46-1
Molecular Formula:
C7H8BrNO
Molecular Weight:
202.0485
MDL Number:
MFCD13186737
IUPAC Name:
3-bromo-2-methoxyaniline
InChI:
InChI=1S/C7H8BrNO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3
InChI Key:
ZLODWCIXZJMLJL-UHFFFAOYSA-N
SMILES:
COc1c(N)cccc1Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.979g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.051g/mol
Monoisotopic Mass:
200.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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