Home Halogens methyl 2-bromo-4-formylbenzoate

methyl 2-bromo-4-formylbenzoate

CAS No.:
90484-52-9
Catalog Number:
AG01BS1W
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
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Product Description
Catalog Number:
AG01BS1W
Chemical Name:
methyl 2-bromo-4-formylbenzoate
CAS Number:
90484-52-9
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
MDL Number:
MFCD26863464
IUPAC Name:
methyl 2-bromo-4-formylbenzoate
InChI:
InChI=1S/C9H7BrO3/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-5H,1H3
InChI Key:
HVGRXTUWUNHKJB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Br)C=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:
1.9  
Properties