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99233-18-8 | N-(3-Bromo-2-nitrophenyl);acetamide
CAS No: 99233-18-8 Catalog No: AG003ISI MDL No:MFCD11855831
Product Description
Catalog Number:
AG003ISI
Chemical Name:
N-(3-Bromo-2-nitrophenyl);acetamide
CAS Number:
99233-18-8
Molecular Formula:
C8H7BrN2O3
Molecular Weight:
259.0568
MDL Number:
MFCD11855831
IUPAC Name:
N-(3-bromo-2-nitrophenyl)acetamide
InChI:
InChI=1S/C8H7BrN2O3/c1-5(12)10-7-4-2-3-6(9)8(7)11(13)14/h2-4H,1H3,(H,10,12)
InChI Key:
SSLHIABEJDXTOZ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1[N+](=O)[O-])Br
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.059g/mol
Monoisotopic Mass:
257.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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