AG0033JF

1948-40-9 | 3,5-Diiodo-4-Hydroxybenzaldehyde

AG0033JF

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CAS Number	1948-40-9
Catalog Number	AG0033JF(AGN-PC-0BSKBI)
Chemical Name	3,5-Diiodo-4-Hydroxybenzaldehyde
EC Number	217-754-3
IUPAC Name	4-hydroxy-3,5-diiodobenzaldehyde
InChI	InChI=1S/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChI Key	WHLUEIMENHLCMY-UHFFFAOYSA-N
MDL Number	MFCD00014670
Molecular Formula	C7H4I2O2
Molecular Weight	373.9144
NSC Number	72943
SMILES	O=Cc1cc(c(O)c(c1)I)I
Synonyms	4-Hydroxy-3,5-diiodobenzaldehyde, 1948-40-9, 3,5-Diiodo-4-hydroxybenzaldehyde, Benzaldehyde, 4-hydroxy-3,5-diiodo-, 2,6-Diiodo-4-formylphenol, 3,5-Diiodo4-hydroxybenzaldehyde, WHLUEIMENHLCMY-UHFFFAOYSA-N, 4-hydroxy-3,5-diiodo-benzaldehyde, MFCD00014670, W-107697, NSC72943, EINECS 217-754-3, AC1L2MLS, AC1Q4PEN, AC1Q78DI, 3,5-Dijod-p-oxybenzaldehyd, ACMC-1C01X, NCIOpen2_008726, SCHEMBL1005116, Jsp004000, CTK4E1631, KS-00000ZNB, DTXSID20173129, ZINC4575735, ZX-AT006647, 4-Hydroxy-3,5-diiodobenzaldehyde #, ANW-46913, BBL023135, Benzaldehyde,4-hydroxy-3,5-diiodo-, NSC-72943, OR8809, STK015966, AKOS000313088, ACN-048944, AM84214, AS05589, CM11939, FCH1321574, MCULE-4523128490, PS-6984, VZ25791, AJ-51693, AK-61652, AN-50135, BR-61652, CC-13567, I266, AX8004251, DB-044873, ST2405826, TX-017019, FT-0614630, ST45136505, S-3662, C-21209, I14-99013, C7H4I2O2, C7-H4-I2-O2, CID74760, AR-1G2665, H1539, 19922-85-1,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	373.83g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	373.916g/mol
Monoisotopic Mass	373.83g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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