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114772-39-3 | 1,1'-Biphenyl, 4'-(bromomethyl)-2-nitro-
CAS No: 114772-39-3 Catalog No: AG000F6Z MDL No:
Product Description
Catalog Number:
AG000F6Z
Chemical Name:
1,1'-Biphenyl, 4'-(bromomethyl)-2-nitro-
CAS Number:
114772-39-3
Molecular Formula:
C13H10BrNO2
Molecular Weight:
292.1280
IUPAC Name:
1-[4-(bromomethyl)phenyl]-2-nitrobenzene
InChI:
InChI=1S/C13H10BrNO2/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15(16)17/h1-8H,9H2
InChI Key:
OATBYCHXZQQYRV-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.989g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.132g/mol
Monoisotopic Mass:
290.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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