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Home > Bromides > 1016163-89-5
1016163-89-5 | Benzoic acid, 5-bromo-2-formyl-, methyl ester
CAS No: 1016163-89-5 Catalog No: AG0004Z4 MDL No:MFCD16036575
Product Description
Catalog Number:
AG0004Z4
Chemical Name:
Benzoic acid, 5-bromo-2-formyl-, methyl ester
CAS Number:
1016163-89-5
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
MDL Number:
MFCD16036575
IUPAC Name:
methyl 5-bromo-2-formylbenzoate
InChI:
InChI=1S/C9H7BrO3/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-5H,1H3
InChI Key:
ZYGJVCDDZZSSEE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ccc1C=O
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:
3
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