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412336-53-9 | 3-CHLORO-6-HYDROXY-2-NITROBENZALDEHYDE
CAS No: 412336-53-9 Catalog No: AG0072U1 MDL No:MFCD09038106
Product Description
Catalog Number:
AG0072U1
Chemical Name:
3-CHLORO-6-HYDROXY-2-NITROBENZALDEHYDE
CAS Number:
412336-53-9
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD09038106
IUPAC Name:
3-chloro-6-hydroxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C7H4ClNO4/c8-5-1-2-6(11)4(3-10)7(5)9(12)13/h1-3,11H
InChI Key:
JUHUQAKTDQZINI-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)ccc(c1[N+](=O)[O-])Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.562g/mol
Monoisotopic Mass:
200.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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