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187998-44-3 | 1H-Pyrazole-4-carboxylic acid, 1-(4-bromophenyl)-5-methyl-
CAS No: 187998-44-3 Catalog No: AG002GMP MDL No:MFCD04122758
Product Description
Catalog Number:
AG002GMP
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(4-bromophenyl)-5-methyl-
CAS Number:
187998-44-3
Molecular Formula:
C11H9BrN2O2
Molecular Weight:
281.1054
MDL Number:
MFCD04122758
IUPAC Name:
1-(4-bromophenyl)-5-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H9BrN2O2/c1-7-10(11(15)16)6-13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)
InChI Key:
XHUOEOFQYJPQOZ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1ncc(c1C)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.109g/mol
Monoisotopic Mass:
279.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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