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Home Halogens 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-5-methylfuran-2-carboxylic acid

4-[(4-bromo-1H-pyrazol-1-yl)methyl]-5-methylfuran-2-carboxylic acid

CAS No.:
1248793-48-7
Catalog Number:
AG01A1FG
Molecular Formula:
C10H9BrN2O3
Molecular Weight:
285.0941
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Product Description
Catalog Number:
AG01A1FG
Chemical Name:
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CAS Number:
1248793-48-7
Molecular Formula:
C10H9BrN2O3
Molecular Weight:
285.0941
MDL Number:
MFCD16729982
IUPAC Name:
4-[(4-bromopyrazol-1-yl)methyl]-5-methylfuran-2-carboxylic acid
InChI:
InChI=1S/C10H9BrN2O3/c1-6-7(2-9(16-6)10(14)15)4-13-5-8(11)3-12-13/h2-3,5H,4H2,1H3,(H,14,15)
InChI Key:
SZGFEAKKWQVAPU-UHFFFAOYSA-N
SMILES:
Cc1oc(cc1Cn1cc(cn1)Br)C(=O)O
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.98g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.097g/mol
Monoisotopic Mass:
283.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties