AG002AUL

1975-50-4 | Benzoic acid, 2-methyl-3-nitro-

AG002AUL

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CAS Number	1975-50-4
Catalog Number	AG002AUL(AGN-PC-0JKCOI)
Chemical Name	Benzoic acid, 2-methyl-3-nitro-
EC Number	217-826-4
IUPAC Name	2-methyl-3-nitrobenzoic acid
InChI	InChI=1S/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key	YPQAFWHSMWWPLX-UHFFFAOYSA-N
MDL Number	MFCD00007160
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	CC1=C(C(=O)O)C=CC=C1[N+](=O)[O-]
UN Number	2811
UNII	0SI17D349B
Synonyms	2-METHYL-3-NITROBENZOIC ACID, 1975-50-4, 3-Nitro-o-toluic acid, Benzoic acid, 2-methyl-3-nitro-, 2-Methyl-3-nitrobenzoicacid, UNII-0SI17D349B, 3-Nitro-2-methyl benzoic acid, EINECS 217-826-4, MFCD00007160, 3-nitro-2-methylbenzoic acid, 2-methyl-3-nitro-benzoic acid, YPQAFWHSMWWPLX-UHFFFAOYSA-N, 0SI17D349B, PubChem4522, NCGC00091604-01, ACMC-1CUJD, AC1Q2ERR, DSSTox_CID_5637, methyl 3-nitrobenzoic acid, DSSTox_RID_77863, 3-nitro-2-methybenzoic acid, DSSTox_GSID_25637, Oprea1_641068, SCHEMBL33663, KSC181E1B, MLS002454366, 2-methyl-3-nitro benzoic acid, AC1L279C, AKOS BB-9542, benzoic acid,2-methyl-3-nitro, TPC-B005, TPC-I003, CHEMBL1487536, DTXSID7025637, Benzoicacid, 2-methyl-3-nitro-, CTK0I1210, TIMTEC-BB SBB028497, 3-NITRO-ORTHO-TOLUIC ACID, ATTERCOP-CHM AT114409, HMS3039B15, ACT12278, BCP24500, EBD47247, KS-00000CB3, ZINC2567944, Tox21_201228, ANW-23758, BBL019291, LS-976, SBB028497, STL199615, 2-Methyl-3-nitrobenzoic acid, 99%, AKOS000120247, AC-2645, AM84672, AS00761, CM12847, MCULE-2412624019, PS-6005, RP24222, RTC-064035, TRA0036399, NCGC00091604-02, NCGC00258780-01, AJ-41516, AK-45774, AN-13736, BC226215, BR-45774, SC-02152, SMR001371990, SY002381, CAS-1975-50-4, DB-021334, ST2410122, TC-064035, CS-0030570, FT-0612948, M0892, ST50406632, MFCD00007160 (98%), B-7678, M-4208, I01-3366, J-509956, F2191-0034, InChI=1/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11, Not Available, 1-2 weeks, C8H7NO4, C8-H7-N-O4, CID16096, ACN-000256, 3-(cyclopentyloxy)-4-methoxybenzoyl chloride, A4324, 2-Methyl-3-nitrobenzoic acid, 99% - 100G 100g,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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