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685873-72-7 | 2-Bromo-4-methoxy-3-(4-nitrophenoxy)benzaldehyde
CAS No: 685873-72-7 Catalog No: AG01D8P8 MDL No:
Product Description
Catalog Number:
AG01D8P8
Chemical Name:
2-Bromo-4-methoxy-3-(4-nitrophenoxy)benzaldehyde
CAS Number:
685873-72-7
Molecular Formula:
C14H10BrNO5
Molecular Weight:
352.1369
IUPAC Name:
2-bromo-4-methoxy-3-(4-nitrophenoxy)benzaldehyde
InChI:
InChI=1S/C14H10BrNO5/c1-20-12-7-2-9(8-17)13(15)14(12)21-11-5-3-10(4-6-11)16(18)19/h2-8H,1H3
InChI Key:
HAXGCGLWVUUKCI-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1Oc1ccc(cc1)[N+](=O)[O-])Br)C=O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.974g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.14g/mol
Monoisotopic Mass:
350.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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