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1150163-77-1 | 1H-Pyrazole-4-carboxylic acid, 3-(4-bromophenyl)-, methyl ester
CAS No: 1150163-77-1 Catalog No: AG000FO6 MDL No:MFCD11855859
Product Description
Catalog Number:
AG000FO6
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-(4-bromophenyl)-, methyl ester
CAS Number:
1150163-77-1
Molecular Formula:
C11H9BrN2O2
Molecular Weight:
281.1054
MDL Number:
MFCD11855859
IUPAC Name:
methyl 5-(4-bromophenyl)-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C11H9BrN2O2/c1-16-11(15)9-6-13-14-10(9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChI Key:
NSBZXLIETBYGKD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nc1c1ccc(cc1)Br
Properties
Complexity:
254
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:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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