2-(Benzylaminomethyl)-4-bromo-1-fluorobenzene - CAS 1019558-55-4
Catalog: |
BB073813 |
Product Name: |
2-(Benzylaminomethyl)-4-bromo-1-fluorobenzene |
CAS: |
1019558-55-4 |
Synonyms: |
2-(Benzylaminomethyl)-4-bromo-1-fluorobenzene; N-[(5-bromo-2-fluorophenyl)methyl]-1-phenylmethanamine; N-Benzyl-1-(5-bromo-2-fluorophenyl)methanamine |
IUPAC Name: | N-[(5-bromo-2-fluorophenyl)methyl]-1-phenylmethanamine |
Molecular Weight: | 294.16 |
Molecular Formula: | C14H13BrFN |
Canonical SMILES: | C1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Br)F |
InChI: | InChI=1S/C14H13BrFN/c15-13-6-7-14(16)12(8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2 |
InChI Key: | NDINODOEORPMRD-UHFFFAOYSA-N |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.02154 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.02154 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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