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7507-86-0 | 2-Bromo-5-methoxybenzaldehyde
CAS No: 7507-86-0 Catalog No: AG00335T MDL No:MFCD00463817
Product Description
Catalog Number:
AG00335T
Chemical Name:
2-Bromo-5-methoxybenzaldehyde
CAS Number:
7507-86-0
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD00463817
IUPAC Name:
2-bromo-5-methoxybenzaldehyde
InChI:
InChI=1S/C8H7BrO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3
InChI Key:
XNHKTMIWQCNZST-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C=O)Br
NSC Number:
401439
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.046g/mol
Monoisotopic Mass:
213.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Benzyl (E)-3-(2-bromo-5-meth-oxy-benzyl-idene)dithio-carbazate. | Acta crystallographica. Section E, Structure reports online 20111101 |
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