Home Carboxys 3-Bromo-1h-pyrrole-2-carboxylic acid methyl ester

3-Bromo-1h-pyrrole-2-carboxylic acid methyl ester

CAS No.:
941714-57-4
Catalog Number:
AG003RRN
Molecular Formula:
C6H6BrNO2
Molecular Weight:
204.0213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$51
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Product Description
Catalog Number:
AG003RRN
Chemical Name:
3-Bromo-1h-pyrrole-2-carboxylic acid methyl ester
CAS Number:
941714-57-4
Molecular Formula:
C6H6BrNO2
Molecular Weight:
204.0213
MDL Number:
MFCD23106341
IUPAC Name:
methyl 3-bromo-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H6BrNO2/c1-10-6(9)5-4(7)2-3-8-5/h2-3,8H,1H3
InChI Key:
RWYUPXPKZMQREC-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]ccc1Br
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.958g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.023g/mol
Monoisotopic Mass:
202.958g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties