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1240480-64-1 | Benzoic acid, 2-amino-3-bromo-6-methoxy-
CAS No: 1240480-64-1 Catalog No: AG000LGT MDL No:MFCD16743736
Product Description
Catalog Number:
AG000LGT
Chemical Name:
Benzoic acid, 2-amino-3-bromo-6-methoxy-
CAS Number:
1240480-64-1
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD16743736
IUPAC Name:
2-amino-3-bromo-6-methoxybenzoic acid
InChI:
InChI=1S/C8H8BrNO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
VRNHYOUHVGOECL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C(=O)O)N)Br
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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