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28006-94-2 | 5-Bromo-2,3,4-trimethoxy-benzaldehyde
CAS No: 28006-94-2 Catalog No: AG00BHLT MDL No:
Product Description
Catalog Number:
AG00BHLT
Chemical Name:
5-Bromo-2,3,4-trimethoxy-benzaldehyde
CAS Number:
28006-94-2
Molecular Formula:
C10H11BrO4
Molecular Weight:
275.0959
IUPAC Name:
5-bromo-2,3,4-trimethoxybenzaldehyde
InChI:
InChI=1S/C10H11BrO4/c1-13-8-6(5-12)4-7(11)9(14-2)10(8)15-3/h4-5H,1-3H3
InChI Key:
XXNSWDYEBWMIHT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(c(c1OC)OC)OC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.098g/mol
Monoisotopic Mass:
273.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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