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155526-65-1 | Benzaldehyde, 4-(bromomethyl)-3-nitro-
CAS No: 155526-65-1 Catalog No: AG001NZ6 MDL No:
Product Description
Catalog Number:
AG001NZ6
Chemical Name:
Benzaldehyde, 4-(bromomethyl)-3-nitro-
CAS Number:
155526-65-1
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
IUPAC Name:
4-(bromomethyl)-3-nitrobenzaldehyde
InChI:
InChI=1S/C8H6BrNO3/c9-4-7-2-1-6(5-11)3-8(7)10(12)13/h1-3,5H,4H2
InChI Key:
BASKWLYIVXTKQV-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1[N+](=O)[O-])C=O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.044g/mol
Monoisotopic Mass:
242.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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