Benzyl N-(3-bromo-2-fluorophenyl)carbamate - CAS 903556-49-0
Catalog: |
BB073785 |
Product Name: |
Benzyl N-(3-bromo-2-fluorophenyl)carbamate |
CAS: |
903556-49-0 |
Synonyms: |
Benzyl N-(3-bromo-2-fluorophenyl)carbamate; Benzyl (3-bromo-2-fluorophenyl)carbamate; BenzylN-(3-bromo-2-fluorophenyl)carbamate |
IUPAC Name: | benzyl N-(3-bromo-2-fluorophenyl)carbamate |
Description: | Benzyl N-(3-bromo-2-fluorophenyl)carbamate |
Molecular Weight: | 324.15 |
Molecular Formula: | C14H11BrFNO2 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NC2=C(C(=CC=C2)Br)F |
InChI: | InChI=1S/C14H11BrFNO2/c15-11-7-4-8-12(13(11)16)17-14(18)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18) |
InChI Key: | INRWHGLHCPGDKM-UHFFFAOYSA-N |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.99572 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.99572 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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