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1196-90-3 | 1H-Pyrrole-2-carboxylic acid, 4-bromo-1-methyl-, methyl ester
CAS No: 1196-90-3 Catalog No: AG000P94 MDL No:MFCD08275077
Product Description
Catalog Number:
AG000P94
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-bromo-1-methyl-, methyl ester
CAS Number:
1196-90-3
Molecular Formula:
C7H8BrNO2
Molecular Weight:
218.0479
MDL Number:
MFCD08275077
IUPAC Name:
methyl 4-bromo-1-methylpyrrole-2-carboxylate
InChI:
InChI=1S/C7H8BrNO2/c1-9-4-5(8)3-6(9)7(10)11-2/h3-4H,1-2H3
InChI Key:
XYZFZMSLKMPMGW-UHFFFAOYSA-N
SMILES:
Cn1cc(cc1C(=O)OC)Br
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:
0
Isotope Atom Count:
0
Molecular Weight:
218.05g/mol
Monoisotopic Mass:
216.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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