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879996-70-0 | 3-(3-Bromophenyl)-1H-pyrazole-4-carboxylic acid
CAS No: 879996-70-0 Catalog No: AG004H5H MDL No:MFCD07367330
Product Description
Catalog Number:
AG004H5H
Chemical Name:
3-(3-Bromophenyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
879996-70-0
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
MDL Number:
MFCD07367330
IUPAC Name:
5-(3-bromophenyl)-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)
InChI Key:
HXZRKWVFIZVNLV-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1[nH]ncc1C(=O)O
Properties
Complexity:
250
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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