Home Halogens methyl 2-(3-bromopyridin-4-yl)propanoate

methyl 2-(3-bromopyridin-4-yl)propanoate

CAS No.:
2091136-59-1
Catalog Number:
AG01ELCP
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
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Product Description
Catalog Number:
AG01ELCP
Chemical Name:
methyl 2-(3-bromopyridin-4-yl)propanoate
CAS Number:
2091136-59-1
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD31668777
IUPAC Name:
methyl 2-(3-bromopyridin-4-yl)propanoate
InChI:
InChI=1S/C9H10BrNO2/c1-6(9(12)13-2)7-3-4-11-5-8(7)10/h3-6H,1-2H3
InChI Key:
ZVTMAXHUKPUPOD-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccncc1Br)C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties