AG000M8K

1245643-11-1 | Benzoic acid, 3,4-diamino-5-bromo-, methyl ester

AG000M8K

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CAS Number	1245643-11-1
Catalog Number	AG000M8K(AGN-PC-09MQVC)
Chemical Name	Benzoic acid, 3,4-diamino-5-bromo-, methyl ester
IUPAC Name	methyl 3,4-diamino-5-bromobenzoate
InChI	InChI=1S/C8H9BrN2O2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,10-11H2,1H3
InChI Key	FJUXWCBISHILFS-UHFFFAOYSA-N
MDL Number	MFCD18072579
Molecular Formula	C8H9BrN2O2
Molecular Weight	245.0733
SMILES	O=C(OC)C1=CC(Br)=C(N)C(N)=C1
Synonyms	methyl 3,4-diamino-5-bromobenzoate, 1245643-11-1, 3,4-DIAMINO-5-BROMO-BENZOIC ACID METHYL ESTER, SCHEMBL1758897, KS-00003HBJ, FJUXWCBISHILFS-UHFFFAOYSA-N, ZX-AT013102, MFCD18072579, ZINC64034000, AKOS024262260, AS-8246, FCH1362923, OR70021, AK157808, CJ-20986, AJ-114709, AX8291797, DB-010082, FT-0703813, Z8803, Benzoicacid,3,4-diamino-5-bromo-,methylester, K-1802, Methyl3,4-diamino-5-bromobenzoate, AldrichCPR, Benzoic acid, 3,4-diamino-5-bromo-, methyl ester, C8H9BrN2O2,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.985g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.076g/mol
Monoisotopic Mass	243.985g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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