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1215205-09-6 | Benzenemethanamine, N-(2-bromo-6-nitrophenyl)-4-methoxy-
CAS No: 1215205-09-6 Catalog No: AG00154R MDL No:MFCD15143452
Product Description
Catalog Number:
AG00154R
Chemical Name:
Benzenemethanamine, N-(2-bromo-6-nitrophenyl)-4-methoxy-
CAS Number:
1215205-09-6
Molecular Formula:
C14H13BrN2O3
Molecular Weight:
337.1686
MDL Number:
MFCD15143452
IUPAC Name:
2-bromo-N-[(4-methoxyphenyl)methyl]-6-nitroaniline
InChI:
InChI=1S/C14H13BrN2O3/c1-20-11-7-5-10(6-8-11)9-16-14-12(15)3-2-4-13(14)17(18)19/h2-8,16H,9H2,1H3
InChI Key:
ZJLHKMSBGUXUOU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNc1c(Br)cccc1[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.011g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.173g/mol
Monoisotopic Mass:
336.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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