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71758-51-5 | N-[(3-Hydroxy-4-iodo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamic acid benzyl ester
CAS No: 71758-51-5 Catalog No: AG00FV4S MDL No:
Product Description
Catalog Number:
AG00FV4S
Chemical Name:
N-[(3-Hydroxy-4-iodo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamic acid benzyl ester
CAS Number:
71758-51-5
IUPAC Name:
benzyl N-[(3-hydroxy-4-iodo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate
InChI:
InChI=1S/C19H20INO3/c20-17-16-9-5-4-8-14(16)10-15(18(17)22)11-21-19(23)24-12-13-6-2-1-3-7-13/h1-3,6-7,10,22H,4-5,8-9,11-12H2,(H,21,23)
InChI Key:
RMVASUJSNRDMDT-UHFFFAOYSA-N
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
437.277g/mol
Monoisotopic Mass:
437.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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