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82231-52-5 | 4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid
CAS No: 82231-52-5 Catalog No: AG0050CX MDL No:MFCD08056671
Product Description
Catalog Number:
AG0050CX
Chemical Name:
4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
82231-52-5
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD08056671
IUPAC Name:
4-bromo-5-methyl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5BrN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)
InChI Key:
XIZPNSLYWMMPNI-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1Br)C
NSC Number:
215265
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.953g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.011g/mol
Monoisotopic Mass:
203.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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