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1330750-40-7 | Benzenemethanamine, N-(4-bromo-5-fluoro-2-nitrophenyl)-
CAS No: 1330750-40-7 Catalog No: AG00146C MDL No:MFCD19981501
Product Description
Catalog Number:
AG00146C
Chemical Name:
Benzenemethanamine, N-(4-bromo-5-fluoro-2-nitrophenyl)-
CAS Number:
1330750-40-7
Molecular Formula:
C13H10BrFN2O2
Molecular Weight:
325.1331
MDL Number:
MFCD19981501
IUPAC Name:
N-benzyl-4-bromo-5-fluoro-2-nitroaniline
InChI:
InChI=1S/C13H10BrFN2O2/c14-10-6-13(17(18)19)12(7-11(10)15)16-8-9-4-2-1-3-5-9/h1-7,16H,8H2
InChI Key:
VYYWWISQACSPII-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(cc1NCc1ccccc1)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.137g/mol
Monoisotopic Mass:
323.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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