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79893-40-6 | Benzenamine, 3,5-dibromo-2-methoxy-
CAS No: 79893-40-6 Catalog No: AG0054WZ MDL No:
Product Description
Catalog Number:
AG0054WZ
Chemical Name:
Benzenamine, 3,5-dibromo-2-methoxy-
CAS Number:
79893-40-6
Molecular Formula:
C7H7Br2NO
Molecular Weight:
280.9446
IUPAC Name:
3,5-dibromo-2-methoxyaniline
InChI:
InChI=1S/C7H7Br2NO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,10H2,1H3
InChI Key:
IFVAGSWDFJJJKF-UHFFFAOYSA-N
SMILES:
COc1c(N)cc(cc1Br)Br
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.887g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.947g/mol
Monoisotopic Mass:
278.889g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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