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Home > Aldehydes > 175276-45-6
175276-45-6 | 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime
CAS No: 175276-45-6 Catalog No: AG0020QX MDL No:
Product Description
Catalog Number:
AG0020QX
Chemical Name:
1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime
CAS Number:
175276-45-6
Molecular Formula:
C4H4BrN3O
Molecular Weight:
189.9981
IUPAC Name:
N-[(4-bromo-1H-pyrazol-5-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C4H4BrN3O/c5-3-1-6-8-4(3)2-7-9/h1-2,9H,(H,6,8)
InChI Key:
NDKIWUINGPQCHL-UHFFFAOYSA-N
SMILES:
ON=Cc1n[nH]cc1Br
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.954g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190g/mol
Monoisotopic Mass:
188.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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