AG003MXB

32692-19-6 | 1H-​Indole, 2,​3-​dihydro-​5-​nitro-

AG003MXB

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CAS Number	32692-19-6
Catalog Number	AG003MXB(AGN-PC-0JKOXT)
Chemical Name	1H-​Indole, 2,​3-​dihydro-​5-​nitro-
EC Number	251-158-4
IUPAC Name	5-nitro-2,3-dihydro-1H-indole
InChI	InChI=1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2
InChI Key	WJQWYAJTPPYORB-UHFFFAOYSA-N
MDL Number	MFCD00005709
Molecular Formula	C8H8N2O2
Molecular Weight	164.1613
NSC Number	61445
SMILES	N(=O)(=O)c1cc2c(cc1)NCC2
Synonyms	5-Nitroindoline, 32692-19-6, 5-nitro-2,3-dihydro-1H-indole, 1H-Indole, 2,3-dihydro-5-nitro-, INDOLINE, 5-NITRO-, 2,3-dihydro-5-nitro-(1h)-indole, CCRIS 3306, EINECS 251-158-4, NSC 61445, BRN 0156653, 5-nitro-2,3-dihydro-indole, MLS002693330, WJQWYAJTPPYORB-UHFFFAOYSA-N, MFCD00005709, 5-nitroindolin, 5-nitro indoline, NSC61445, PubChem7442, ACMC-1AERA, 5-Nitroindoline, 97%, Maybridge1_006224, AC1L1VC0, AC1Q1Y6F, 2,3-dihydro-5-nitroindole, 5-Nitro-2,3-dihydroindole, Oprea1_631752, KSC493C3T, SCHEMBL200716, AMBZ0136, CHEMBL165264, SCHEMBL3922801, CTK3J3139, HMS559C20, 2,3-dihydro-5-nitro-1h-indole, DTXSID00186358, HMS3088A19, ACT02469, ALBB-010335, BCP28095, KS-00000DJ1, ZINC4043641, ANW-27411, CN-116, NSC-61445, SBB067162, STK371990, AKOS001200764, AM85726, CS-W001976, DS-1842, MCULE-9440245473, PS-6052, RP22703, RTR-013717, TRA0077679, VI30480, AC-27811, AJ-47794, AK-86451, BP-12507, CJ-11283, LS-83469, SC-62449, SMR001559287, SY009291, AB0050934, DB-007098, TR-013717, 4CH-006999, A5843, FT-0620710, ST24029543, ST45029359, EN300-23647, C-5326, N-3414, MFCD00005709 (97+%), 692N196, AO-080/43377997, SR-01000400079, I14-1642, SR-01000400079-1, InChI=1/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H, C8-H8-N2-O2, CID36219, 5-20-06-00253 (Beilstein Handbook Reference),

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.164g/mol
Monoisotopic Mass	164.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	57.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P280a-P304+P340-P405-P501a-P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number