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362527-61-5 | Ethyl 3-bromo-4-cyanobenzoate
CAS No: 362527-61-5 Catalog No: AG003Q7C MDL No:MFCD13184275
Product Description
Catalog Number:
AG003Q7C
Chemical Name:
Ethyl 3-bromo-4-cyanobenzoate
CAS Number:
362527-61-5
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD13184275
IUPAC Name:
ethyl 3-bromo-4-cyanobenzoate
InChI:
InChI=1S/C10H8BrNO2/c1-2-14-10(13)7-3-4-8(6-12)9(11)5-7/h3-5H,2H2,1H3
InChI Key:
SVBBQSMUEOIQDZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Br)C#N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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