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865186-82-9 | 5-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid
CAS No: 865186-82-9 Catalog No: AG0036F6 MDL No:MFCD16659627
Product Description
Catalog Number:
AG0036F6
Chemical Name:
5-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid
CAS Number:
865186-82-9
Molecular Formula:
C6H6BrNO2
Molecular Weight:
204.0213
MDL Number:
MFCD16659627
IUPAC Name:
5-bromo-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H6BrNO2/c1-8-4(6(9)10)2-3-5(8)7/h2-3H,1H3,(H,9,10)
InChI Key:
PKYXJNNPHVMPDQ-UHFFFAOYSA-N
SMILES:
Cn1c(ccc1Br)C(=O)O
Properties
Complexity:
151
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:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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