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618383-49-6 | 3-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid
CAS No: 618383-49-6 Catalog No: AG00EJ99 MDL No:MFCD03834508
Product Description
Catalog Number:
AG00EJ99
Chemical Name:
3-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
618383-49-6
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
MDL Number:
MFCD03834508
IUPAC Name:
5-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)
InChI Key:
CDRHLGAXQKDZDT-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]nc1c1ccc(cc1)Br
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.969g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.082g/mol
Monoisotopic Mass:
265.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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