Home Halogens methyl 2-bromo-2-(4-cyanophenyl)acetate

methyl 2-bromo-2-(4-cyanophenyl)acetate

CAS No.:
885953-33-3
Catalog Number:
AG01BTHD
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
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Product Description
Catalog Number:
AG01BTHD
Chemical Name:
methyl 2-bromo-2-(4-cyanophenyl)acetate
CAS Number:
885953-33-3
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD04038662
IUPAC Name:
methyl 2-bromo-2-(4-cyanophenyl)acetate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)9(11)8-4-2-7(6-12)3-5-8/h2-5,9H,1H3
InChI Key:
NILGZRRSMPASHK-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)C#N)Br
Properties
Complexity:
250  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties