AG00ED9F

63243-76-5 | 2-AMINO-5-BROMO-BENZOIC ACID ETHYL ESTER

AG00ED9F

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CAS Number	63243-76-5
Catalog Number	AG00ED9F(AGN-PC-0K6AIV)
Chemical Name	2-AMINO-5-BROMO-BENZOIC ACID ETHYL ESTER
EC Number	613-196-3
IUPAC Name	ethyl 2-amino-5-bromobenzoate
InChI	InChI=1S/C9H10BrNO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
InChI Key	PKWFESSNWKEZDP-UHFFFAOYSA-N
MDL Number	MFCD03428545
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	O=C(OCC)C1=CC(Br)=CC=C1N
Synonyms	ethyl 2-amino-5-bromobenzoate, 63243-76-5, 2-Amino-5-bromo-benzoic acid ethyl ester, 2-Amino-5-bromobenzoic acid ethyl ester, BENZOIC ACID, 2-AMINO-5-BROMO-, ETHYL ESTER, AC1LTV59, SCHEMBL1187777, CTK5B8271, KS-00000MTC, DTXSID50363935, PKWFESSNWKEZDP-UHFFFAOYSA-N, ethyl 2-azanyl-5-bromanyl-benzoate, ZINC1437419, CE-490, MFCD03428545, AKOS009165604, AS03586, DS-6662, MCULE-4930804446, 2-amino-5-bromobenzoic acid, ethyl ester, AJ-26022, AK130408, TC-067352, Benzoicacid, 2-amino-5-bromo-, ethyl ester, FT-0654401, TL80090372, EN300-60502, A43083, S-0143, A834294, I14-5113, Z291377264, Ethyl2-amino-5-bromobenzoate, Ethyl 2-amino-5-bromo-benzoate, CID1515283,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.989g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.088g/mol
Monoisotopic Mass	242.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number