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934-07-6 | 1H-Pyrrole-2-carboxylic acid, 5-bromo-, methyl ester
CAS No: 934-07-6 Catalog No: AG006FY6 MDL No:MFCD09801030
Product Description
Catalog Number:
AG006FY6
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-bromo-, methyl ester
CAS Number:
934-07-6
Molecular Formula:
C6H6BrNO2
Molecular Weight:
204.0213
MDL Number:
MFCD09801030
IUPAC Name:
methyl 5-bromo-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H6BrNO2/c1-10-6(9)4-2-3-5(7)8-4/h2-3,8H,1H3
InChI Key:
ZYBOXSDTMZRWBC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc([nH]1)Br
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:
1.9
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