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13745-17-0 | 1H-Pyrazole-3-carboxylic acid, 4-bromo-
CAS No: 13745-17-0 Catalog No: AG0013AE MDL No:MFCD01459882
Product Description
Catalog Number:
AG0013AE
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-bromo-
CAS Number:
13745-17-0
Molecular Formula:
C4H3BrN2O2
Molecular Weight:
190.9828
MDL Number:
MFCD01459882
IUPAC Name:
4-bromo-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C4H3BrN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChI Key:
QISOBCMNUJQOJU-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]cc1Br
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.938g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.984g/mol
Monoisotopic Mass:
189.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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