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90001-44-8 | 2-Bromo-4-formylbenzoic acid
CAS No: 90001-44-8 Catalog No: AG01FGWD MDL No:
Product Description
Catalog Number:
AG01FGWD
Chemical Name:
2-Bromo-4-formylbenzoic acid
CAS Number:
90001-44-8
IUPAC Name:
2-bromo-4-formylbenzoic acid
InChI:
InChI=1S/C8H5BrO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4H,(H,11,12)
InChI Key:
FBBRWSVWLQWAOG-UHFFFAOYSA-N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.942g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.029g/mol
Monoisotopic Mass:
227.942g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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