3-Amino-4-bromo-N-methylbenzamide - CAS 1177098-90-6
Catalog: |
BB075095 |
Product Name: |
3-Amino-4-bromo-N-methylbenzamide |
CAS: |
1177098-90-6 |
Synonyms: |
3-amino-4-bromo-N-methylbenzamide |
IUPAC Name: | 3-amino-4-bromo-N-methylbenzamide |
Description: | 3-Amino-4-bromo-N-methylbenzamide |
Molecular Weight: | 229.07 |
Molecular Formula: | C8H9BrN2O |
Canonical SMILES: | CNC(=O)C1=CC(=C(C=C1)Br)N |
InChI: | InChI=1S/C8H9BrN2O/c1-11-8(12)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3,(H,11,12) |
InChI Key: | ONNHDIYYZGVYOZ-UHFFFAOYSA-N |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.98983 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.98983 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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