| CAS Number | 50780-50-2 |
| Catalog Number | AG00DQTF(AGN-PC-0KKYI2) |
| Chemical Name | Chloromethyl (4-nitrophenyl) carbonate |
| IUPAC Name | chloromethyl (4-nitrophenyl) carbonate |
| InChI | InChI=1S/C8H6ClNO5/c9-5-14-8(11)15-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2 |
| InChI Key | PDTWCUYBIVJSTL-UHFFFAOYSA-N |
| MDL Number | MFCD00208111 |
| Molecular Formula | C8H6ClNO5 |
| Molecular Weight | 231.5899 |
| SMILES | C(OCCl)(OC1=CC=C(C=C1)[N+](=O)[O-])=O |
| Synonyms | chloromethyl (4-nitrophenyl) carbonate,
50780-50-2,
chloromethyl 4-nitrophenyl carbonate,
Carbonic acid, chloromethyl 4-nitrophenyl ester,
AC1MCS0A,
SCHEMBL24606,
CTK1G6066,
DTXSID00380672,
PDTWCUYBIVJSTL-UHFFFAOYSA-N,
ZINC160224,
Chloromethyl p-Nitrophenyl Carbonate,
p-nitrophenyl chloromethyl carbonate,
4504AE,
MFCD00208111,
AKOS025213991,
4-chloromethoxycarbonyloxy-1-nitrobenzene,
carbonic acid chloromethyl ester 4-nitro-phenyl ester,
C8H6ClNO5,
ZINC00160224,
CID2777826,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.588g/mol |
| Monoisotopic Mass | 230.993g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H319-H317
|
|
Packing Group
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\N
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Precautionary statements
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P280-P305+P351+P338
|
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UN Code
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\N
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Certificate of Analysis
Lot Number