| CAS Number | 181871-75-0 |
| Catalog Number | AG00236J(AGN-PC-0WAI2J) |
| Chemical Name | 2-Amino-4-chloro-7-methoxyquinazoline |
| IUPAC Name | 4-chloro-7-methoxyquinazolin-2-amine |
| InChI | InChI=1S/C9H8ClN3O/c1-14-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h2-4H,1H3,(H2,11,12,13) |
| InChI Key | ZCBJQSUGBIQFHK-UHFFFAOYSA-N |
| MDL Number | MFCD18378816 |
| Molecular Formula | C9H8ClN3O |
| Molecular Weight | 209.6323 |
| SMILES | COC1=CC2=NC(N)=NC(Cl)=C2C=C1 |
| Synonyms | 2-Amino-4-chloro-7-methoxyquinazoline,
181871-75-0,
2-Quinazolinamine, 4-chloro-7-methoxy-,
MFCD18378816,
ZINC95725481,
AKOS024214855,
FCH1367917,
AS-47716,
SY024010,
MFCD18378816 (95%),
Q18750,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.633g/mol |
| Monoisotopic Mass | 209.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number