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60114-62-7 | 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-iodo-5-phenyl-
CAS No: 60114-62-7 Catalog No: AG00EKMH MDL No:
Product Description
Catalog Number:
AG00EKMH
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-iodo-5-phenyl-
CAS Number:
60114-62-7
IUPAC Name:
3-aminopropyl-(carboxymethyl)-dimethylazanium
InChI:
InChI=1S/C7H16N2O2/c1-9(2,5-3-4-8)6-7(10)11/h3-6,8H2,1-2H3/p+1
InChI Key:
LJXQDBPJFICXJU-UHFFFAOYSA-O
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.129g/mol
Formal Charge:
1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.225g/mol
Monoisotopic Mass:
161.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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