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4815-97-8 | 2-bromo-3,4-dihydroxybenzaldehyde
CAS No: 4815-97-8 Catalog No: AG01CA3T MDL No:MFCD24714545
Product Description
Catalog Number:
AG01CA3T
Chemical Name:
2-bromo-3,4-dihydroxybenzaldehyde
CAS Number:
4815-97-8
Molecular Formula:
C7H5BrO3
Molecular Weight:
217.0168
MDL Number:
MFCD24714545
IUPAC Name:
2-bromo-3,4-dihydroxybenzaldehyde
InChI:
InChI=1S/C7H5BrO3/c8-6-4(3-9)1-2-5(10)7(6)11/h1-3,10-11H
InChI Key:
QVOCITAVBWSYRN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1Br)O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.942g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.018g/mol
Monoisotopic Mass:
215.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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