AG00BF1F

284030-57-5 | 4-Amino-2,3-difluoro-5-nitro-benzoic acid

AG00BF1F

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CAS Number	284030-57-5
Catalog Number	AG00BF1F(AGN-PC-00VA89)
Chemical Name	4-Amino-2,3-difluoro-5-nitro-benzoic acid
IUPAC Name	4-amino-2,3-difluoro-5-nitrobenzoic acid
InChI	InChI=1S/C7H4F2N2O4/c8-4-2(7(12)13)1-3(11(14)15)6(10)5(4)9/h1H,10H2,(H,12,13)
InChI Key	WXXHOWQPFHXRDY-UHFFFAOYSA-N
MDL Number	MFCD08543937
Molecular Formula	C7H4F2N2O4
Molecular Weight	218.1145
SMILES	O=C(O)C1=CC([N+]([O-])=O)=C(N)C(F)=C1F
Synonyms	4-AMINO-2,3-DIFLUORO-5-NITROBENZOIC ACID, 284030-57-5, 4-AMINO-2,3-DIFLUORO-5-NITRO-BENZOIC ACID, Benzoic acid, 4-amino-2,3-difluoro-5-nitro-, C7H4F2N2O4, SCHEMBL1039561, CTK4G1360, DTXSID70585637, WXXHOWQPFHXRDY-UHFFFAOYSA-N, CS-M0256, ZINC8699306, ANW-59737, MFCD08543937, AKOS015890802, CA-1771, VZ35319, ACM284030575, AJ-58196, AK-38415, AN-29091, DS-12882, SC-49361, 4-amino-2,3-difluoro-5-nitro-benzoicacid, AB0038770, AX8033037, TX-013149, FT-0701447, ST24043195, Y6157, Benzoic acid,4-amino-2,3-difluoro-5-nitro-, 030A575, I01-7836, 4-Amino-2,3-difluoro-5-nitrobenzoicacid,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.014g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.116g/mol
Monoisotopic Mass	218.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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