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Home > Bromides > 1416374-90-7
1416374-90-7 | Benzoic acid, 4-bromo-5-chloro-2-nitro-, methyl ester
CAS No: 1416374-90-7 Catalog No: AG001GRP MDL No:MFCD21603960
Product Description
Catalog Number:
AG001GRP
Chemical Name:
Benzoic acid, 4-bromo-5-chloro-2-nitro-, methyl ester
CAS Number:
1416374-90-7
Molecular Formula:
C8H5BrClNO4
Molecular Weight:
294.4866
MDL Number:
MFCD21603960
IUPAC Name:
methyl 4-bromo-5-chloro-2-nitrobenzoate
InChI:
InChI=1S/C8H5BrClNO4/c1-15-8(12)4-2-6(10)5(9)3-7(4)11(13)14/h2-3H,1H3
InChI Key:
VQBVYXVATUOERO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(cc1[N+](=O)[O-])Br
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.909g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.485g/mol
Monoisotopic Mass:
292.909g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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