AG0072N3

133446-99-8 | Methyl 2-(bromomethyl)-4-nitrobenzoate

AG0072N3

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CAS Number	133446-99-8
Catalog Number	AG0072N3(AGN-PC-003PIA)
Chemical Name	Methyl 2-(bromomethyl)-4-nitrobenzoate
IUPAC Name	methyl 2-(bromomethyl)-4-nitrobenzoate
InChI	InChI=1S/C9H8BrNO4/c1-15-9(12)8-3-2-7(11(13)14)4-6(8)5-10/h2-4H,5H2,1H3
InChI Key	PGNKFDOPHHNVNF-UHFFFAOYSA-N
MDL Number	MFCD11505948
Molecular Formula	C9H8BrNO4
Molecular Weight	274.0681
SMILES	O=C(OC)C1=CC=C([N+]([O-])=O)C=C1CBr
Synonyms	Methyl 2-(bromomethyl)-4-nitrobenzoate, 133446-99-8, 2-BROMOMETHYL-4-NITRO-BENZOIC ACID METHYL ESTER, Benzoic acid, 2-(bromomethyl)-4-nitro-, methyl ester, methyl 2-bromomethyl-4-nitrobenzoate, 2-Bromomethyl-4-nitrobenzoic acid methyl ester, ACMC-20a9ah, SCHEMBL33884, CTK0F4742, DTXSID30568027, PGNKFDOPHHNVNF-UHFFFAOYSA-N, KS-000005MQ, 6080AA, ANW-62967, MFCD11505948, ZINC34464183, AKOS016004573, AJ-88729, AK101480, AS-53240, OR400309, AX8233019, DB-062979, TC-151712, CS-0049201, FT-0697569, Z-4918, Methyl 2-(bromomethyl)-4-nitrobenzoate, AldrichCPR, C9H8BrNO4, Methyl2-(bromomethyl)-4-nitrobenzoate, 2-BROMOMETHYL-4-NITRO-BENZOICACIDMETHYLESTER,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.964g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.07g/mol
Monoisotopic Mass	272.964g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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