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169045-04-9 | Benzoic acid, 2-amino-5-bromo-4-methoxy-
CAS No: 169045-04-9 Catalog No: AG001YG4 MDL No:MFCD21868786
Product Description
Catalog Number:
AG001YG4
Chemical Name:
Benzoic acid, 2-amino-5-bromo-4-methoxy-
CAS Number:
169045-04-9
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD21868786
IUPAC Name:
2-amino-5-bromo-4-methoxybenzoic acid
InChI:
InChI=1S/C8H8BrNO3/c1-13-7-3-6(10)4(8(11)12)2-5(7)9/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
YTAASTFSTXYEIX-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1Br)C(=O)O
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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