AG00D9M0

5335-05-7 | Chloromethyl benzoate

AG00D9M0

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CAS Number	5335-05-7
Catalog Number	AG00D9M0(AGN-PC-0OBVD4)
Chemical Name	Chloromethyl benzoate
EC Number	226-254-4
IUPAC Name	chloromethyl benzoate
InChI	InChI=1S/C8H7ClO2/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key	BOXZXICVMMSYPE-UHFFFAOYSA-N
MDL Number	MFCD00040116
Molecular Formula	C8H7ClO2
Molecular Weight	170.5930
NSC Number	2876
SMILES	O=C(OCCl)C1=CC=CC=C1
Synonyms	Chloromethyl benzoate, 5335-05-7, Chloromethylbenzoate, Chloromethanol benzoate, BENZOIC ACID CHLOROMETHYL ESTER, C6H5COOCH2Cl, AC1Q67NN, SCHEMBL557186, ACMC-2097h9, AC1L2X04, BENZOYLOXYMETHYL CHLORIDE, (BENZOYLOXY)CHLOROMETHANE, CTK4J7710, Methanol, 1-chloro-,1-benzoate, NSC2876, BOXZXICVMMSYPE-UHFFFAOYSA-N, NSC 2876, NSC-2876, ZINC1641198, EINECS 226-254-4, ANW-13963, MFCD00040116, AKOS006272333, AB01791, CS-W004798, GS-3792, QC-4180, BENZOIC ACID, CHLOROMETHYL ESTER, KS-00000F96, AJ-28613, AK-86220, CJ-05883, CJ-26480, AI3-17422, DB-007352, ST2412726, TC-102708, 4CH-006717, FT-0081280, FT-0635630, X7024, A23386, M-7666, S01-0808, Methanol, chloro-, benzoate, C8H7ClO2, CID79257, AR-1I2058, ACN-044878, 5441-08-7,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.013g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.592g/mol
Monoisotopic Mass	170.013g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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