Home Halogens Methyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate

Methyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate

CAS No.:
1092286-09-3
Catalog Number:
AG008Z44
Molecular Formula:
C7H8BrNO2
Molecular Weight:
218.0479
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Product Description
Catalog Number:
AG008Z44
Chemical Name:
Methyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate
CAS Number:
1092286-09-3
Molecular Formula:
C7H8BrNO2
Molecular Weight:
218.0479
MDL Number:
MFCD11557220
IUPAC Name:
methyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C7H8BrNO2/c1-4-5(8)3-9-6(4)7(10)11-2/h3,9H,1-2H3
InChI Key:
GZBZIQHPQZDXHK-UHFFFAOYSA-N
SMILES:
Cc1c(C(=O)OC)[nH]cc1Br
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.974g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.05g/mol
Monoisotopic Mass:
216.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties