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127971-97-5 | Benzoic acid, 6-bromo-3-methoxy-2-nitro-
CAS No: 127971-97-5 Catalog No: AG000XMW MDL No:MFCD14525762
Product Description
Catalog Number:
AG000XMW
Chemical Name:
Benzoic acid, 6-bromo-3-methoxy-2-nitro-
CAS Number:
127971-97-5
Molecular Formula:
C8H6BrNO5
Molecular Weight:
276.0409
MDL Number:
MFCD14525762
IUPAC Name:
6-bromo-3-methoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C8H6BrNO5/c1-15-5-3-2-4(9)6(8(11)12)7(5)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:
GDQNQIOGEJXLHT-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1[N+](=O)[O-])C(=O)O)Br
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.943g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.042g/mol
Monoisotopic Mass:
274.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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