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139277-57-9 | Benzoic acid, 4-(1H-imidazol-1-ylmethyl)-, hydrazide
CAS No: 139277-57-9 Catalog No: AG001AMS MDL No:
Product Description
Catalog Number:
AG001AMS
Chemical Name:
Benzoic acid, 4-(1H-imidazol-1-ylmethyl)-, hydrazide
CAS Number:
139277-57-9
Molecular Formula:
C11H12N4O
Molecular Weight:
216.2392
IUPAC Name:
4-(imidazol-1-ylmethyl)benzohydrazide
InChI:
InChI=1S/C11H12N4O/c12-14-11(16)10-3-1-9(2-4-10)7-15-6-5-13-8-15/h1-6,8H,7,12H2,(H,14,16)
InChI Key:
WKEIAFTVIMAIRV-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccc(cc1)Cn1cncc1
Properties
Complexity:
238
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:
3
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:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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