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Home > Aldehydes > 161091-99-2
161091-99-2 | 1H-Imidazole-5-carboxaldehyde, 4-amino-1-(phenylmethyl)-, oxime
CAS No: 161091-99-2 Catalog No: AG001S5F MDL No:
Product Description
Catalog Number:
AG001S5F
Chemical Name:
1H-Imidazole-5-carboxaldehyde, 4-amino-1-(phenylmethyl)-, oxime
CAS Number:
161091-99-2
Molecular Formula:
C11H12N4O
Molecular Weight:
216.2392
IUPAC Name:
N-[(5-amino-3-benzylimidazol-4-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C11H12N4O/c12-11-10(6-14-16)15(8-13-11)7-9-4-2-1-3-5-9/h1-6,8,16H,7,12H2
InChI Key:
BGBOUPZSPPCCCO-UHFFFAOYSA-N
SMILES:
ON=Cc1c(N)ncn1Cc1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.244g/mol
Monoisotopic Mass:
216.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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