Home Halogens Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate

Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate

CAS No.:
120935-94-6
Catalog Number:
AG007PCT
Molecular Formula:
C8H10BrNO2
Molecular Weight:
232.0745
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Product Description
Catalog Number:
AG007PCT
Chemical Name:
Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS Number:
120935-94-6
Molecular Formula:
C8H10BrNO2
Molecular Weight:
232.0745
MDL Number:
MFCD00203873
IUPAC Name:
methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C8H10BrNO2/c1-4-6(8(11)12-3)7(9)5(2)10-4/h10H,1-3H3
InChI Key:
LGBDYFSMZPRVLL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)[nH]c(c1Br)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.989g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.077g/mol
Monoisotopic Mass:
230.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties