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Home > Bromides > 1225346-96-2
1225346-96-2 | 1,3-Propanediol, 2-(6-bromo-2-naphthalenyl)-2-nitro-
CAS No: 1225346-96-2 Catalog No: AG0017EP MDL No:MFCD23135336
Product Description
Catalog Number:
AG0017EP
Chemical Name:
1,3-Propanediol, 2-(6-bromo-2-naphthalenyl)-2-nitro-
CAS Number:
1225346-96-2
Molecular Formula:
C13H12BrNO4
Molecular Weight:
326.1427
MDL Number:
MFCD23135336
IUPAC Name:
2-(6-bromonaphthalen-2-yl)-2-nitropropane-1,3-diol
InChI:
InChI=1S/C13H12BrNO4/c14-12-4-2-9-5-11(3-1-10(9)6-12)13(7-16,8-17)15(18)19/h1-6,16-17H,7-8H2
InChI Key:
KSSNPZNCFVWROI-UHFFFAOYSA-N
SMILES:
OCC(c1ccc2c(c1)ccc(c2)Br)([N+](=O)[O-])CO
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.995g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.146g/mol
Monoisotopic Mass:
324.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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