Computed Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.097g/mol
Monoisotopic Mass:
289.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Synonyms
3-Bromo-2,5,6-trimethoxybenzoic acid
101460-22-4
ANW-14468
MFCD00191620
3-Bromo-2,5,6-trimethoxybenzoicacid
AKOS005081636
MCULE-4882070340
3-bromo-2,5,6-trimethoxy-benzoic acid
KS-000014N5
AJ-47886
Benzoic acid,3-bromo-2,5,6-trimethoxy-
AX8084897
ACMC-1BRHS
TC-103213
AM20020083
SR-01000307919
12W-0890
SR-01000307919-1
I14-106781
InChI=1/C10H11BrO5/c1-14-6-4-5(11)8(15-2)7(10(12)13)9(6)16-3/h4H,1-3H3,(H,12,13)
CID625925
Benzoic acid, 3-bromo-2,5,6-trimethoxy-
B1740
AC1LCE60
SCHEMBL7827643
CTK3J9806
YHDRAWVCUZZYCU-UHFFFAOYSA-
DTXSID90347794
YHDRAWVCUZZYCU-UHFFFAOYSA-N
ZINC4073042
