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Home > Bromides > 1373617-66-3
1373617-66-3 | 4-BROMO-5-METHOXY-3-METHYL-1H-PYRAZOLE
CAS No: 1373617-66-3 Catalog No: AG01EL4O MDL No:MFCD22062344
Product Description
Catalog Number:
AG01EL4O
Chemical Name:
4-BROMO-5-METHOXY-3-METHYL-1H-PYRAZOLE
CAS Number:
1373617-66-3
Molecular Formula:
C5H7BrN2O
Molecular Weight:
191.0259
MDL Number:
MFCD22062344
IUPAC Name:
4-bromo-3-methoxy-5-methyl-1H-pyrazole
InChI:
InChI=1S/C5H7BrN2O/c1-3-4(6)5(9-2)8-7-3/h1-2H3,(H,7,8)
InChI Key:
PWLCZFXWVPREKB-UHFFFAOYSA-N
SMILES:
COc1[nH]nc(c1Br)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.974g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.028g/mol
Monoisotopic Mass:
189.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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