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116273-91-7 | Benzoyl chloride, 5-(bromomethyl)-2-nitro-
CAS No: 116273-91-7 Catalog No: AG000C3D MDL No:
Product Description
Catalog Number:
AG000C3D
Chemical Name:
Benzoyl chloride, 5-(bromomethyl)-2-nitro-
CAS Number:
116273-91-7
Molecular Formula:
C8H5BrClNO3
Molecular Weight:
278.4872
IUPAC Name:
5-(bromomethyl)-2-nitrobenzoyl chloride
InChI:
InChI=1S/C8H5BrClNO3/c9-4-5-1-2-7(11(13)14)6(3-5)8(10)12/h1-3H,4H2
InChI Key:
PMBWFGJOVMFASL-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)C(=O)Cl)[N+](=O)[O-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.914g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.486g/mol
Monoisotopic Mass:
276.914g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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