AG00BYJM

31706-23-7 | Ethyl 2-bromo-3-nitrobenzoate

AG00BYJM

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CAS Number	31706-23-7
Catalog Number	AG00BYJM(AGN-PC-0KZ9Z0)
Chemical Name	Ethyl 2-bromo-3-nitrobenzoate
IUPAC Name	ethyl 2-bromo-3-nitrobenzoate
InChI	InChI=1S/C9H8BrNO4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2H2,1H3
InChI Key	WTNZOABLVURCTP-UHFFFAOYSA-N
MDL Number	MFCD00024177
Molecular Formula	C9H8BrNO4
Molecular Weight	274.0681
SMILES	O=C(OCC)C1=CC=CC([N+]([O-])=O)=C1Br
Synonyms	Ethyl 2-bromo-3-nitrobenzoate, 31706-23-7, 2-Bromo-3-nitro-benzoic acid ethyl ester, Benzoic acid, 2-bromo-3-nitro-, ethyl ester, AC1MVE0K, KSC495G7F, SCHEMBL2977262, CTK3J5372, DTXSID70395652, WTNZOABLVURCTP-UHFFFAOYSA-N, ACT07388, ZINC2164703, 2-Bromo-3-nitrobenzoicacidethylester, ANW-73662, CL8511, MFCD00024177, AKOS015889956, AM82975, RTC-030861, KS-0000104D, 2-Bromo-3-nitrobenzoic acid ethyl ester, AJ-33760, AS-46039, BC003822, CJ-07832, CJ-33269, AB0050962, DB-007473, TC-030861, FT-0080812, FT-0638987, ST24046844, A23082, K-7457, 706E237, I01-4356, Ethyl2-bromo-3-nitrobenzoate, Ethyl 2-bromo-3-nitro-benzoate, RW1762, CID3731400,

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	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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