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22996-20-9 | 4-IODO-2-NITROBENZYL ALCOHOL
CAS No: 22996-20-9 Catalog No: AG00BDXL MDL No:
Product Description
Catalog Number:
AG00BDXL
Chemical Name:
4-IODO-2-NITROBENZYL ALCOHOL
CAS Number:
22996-20-9
IUPAC Name:
(4-iodo-2-nitrophenyl)methanol
InChI:
InChI=1S/C7H6INO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2
InChI Key:
DMOPRQSYYMKIHH-UHFFFAOYSA-N
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.939g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.033g/mol
Monoisotopic Mass:
278.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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