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4185-55-1 | 1-bromo-2-nitronaphthalene
CAS No: 4185-55-1 Catalog No: AG0037HL MDL No:MFCD00971807
Product Description
Catalog Number:
AG0037HL
Chemical Name:
1-bromo-2-nitronaphthalene
CAS Number:
4185-55-1
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD00971807
IUPAC Name:
1-bromo-2-nitronaphthalene
InChI:
InChI=1S/C10H6BrNO2/c11-10-8-4-2-1-3-7(8)5-6-9(10)12(13)14/h1-6H
InChI Key:
LEHBLKHJWCNXKQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1Br)cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.067g/mol
Monoisotopic Mass:
250.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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