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175276-47-8 | 1H-Pyrrole-3-carboxylic acid, 4-bromo-2,5-dimethyl-
CAS No: 175276-47-8 Catalog No: AG0020QV MDL No:
Product Description
Catalog Number:
AG0020QV
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 4-bromo-2,5-dimethyl-
CAS Number:
175276-47-8
Molecular Formula:
C7H8BrNO2
Molecular Weight:
218.0479
IUPAC Name:
4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C7H8BrNO2/c1-3-5(7(10)11)6(8)4(2)9-3/h9H,1-2H3,(H,10,11)
InChI Key:
JTKSXNVVECCXTL-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)[nH]c(c1Br)C
Properties
Complexity:
174
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:
2
Isotope Atom Count:
0
Molecular Weight:
218.05g/mol
Monoisotopic Mass:
216.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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