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915920-73-9 | 4-BROMO-3-FORMYLPHENYL ACETATE
CAS No: 915920-73-9 Catalog No: AG006GLC MDL No:MFCD08691777
Product Description
Catalog Number:
AG006GLC
Chemical Name:
4-BROMO-3-FORMYLPHENYL ACETATE
CAS Number:
915920-73-9
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
MDL Number:
MFCD08691777
IUPAC Name:
(4-bromo-3-formylphenyl) acetate
InChI:
InChI=1S/C9H7BrO3/c1-6(12)13-8-2-3-9(10)7(4-8)5-11/h2-5H,1H3
InChI Key:
KVGIUGCXIJKTGO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Br)OC(=O)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.056g/mol
Monoisotopic Mass:
241.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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